2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C138H286N20O5 — CID 159452740

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C9H20N2.3C9H17NO.3C9H19N.C8H18N2.C8H15NO.4C8H17N.C7H15N.C6H13N.C5H11N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;3*1-8(2)9(11)10-6-4-3-5-7-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8(10)9-5-3-4-6-9;1-8(2)7-9-5-3-4-6-9;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*8H,3-7H2,1-2H3;3*9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;4*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyLTOVKJYZDBUAHP-UHFFFAOYSA-N
MW2305.94 g/mol
LogP25.24
Rot. Bonds22

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 159452740) has the molecular formula C138H286N20O5 and a molecular weight of 2305.94 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID159452740
Molecular FormulaC138H286N20O5
Molecular Weight2305.94 g/mol
Exact Mass2304.27
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C9H20N2.3C9H17NO.3C9H19N.C8H18N2.C8H15NO.4C8H17N.C7H15N.C6H13N.C5H11N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;3*1-8(2)9(11)10-6-4-3-5-7-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8(10)9-5-3-4-6-9;1-8(2)7-9-5-3-4-6-9;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*8H,3-7H2,1-2H3;3*9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;4*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyLTOVKJYZDBUAHP-UHFFFAOYSA-N
XLogP25.24
TPSA149.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.94
LogP ≤ 525.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159661794
1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);tris(1-tert-butylpiperidine);1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);bis(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
CID 162048397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 159452740) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is LTOVKJYZDBUAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H20N2.3C9H17NO.3C9H19N.C8H18N2.C8H15NO.4C8H17N.C7H15N.C6H13N.C5H11N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;3*1-8(2)9(11)10-6-4-3-5-7-10;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8(10)9-5-3-4-6-9;1-8(2)7-9-5-3-4-6-9;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*8H,3-7H2,1-2H3;3*9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;4*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 2305.94 g/mol, XLogP of 25.24, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;tris(2-methyl-1-piperidin-1-ylpropan-1-one);1-methyl-4-propan-2-ylpiperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;2-methyl-1-pyrrolidin-1-ylpropan-1-one;1-propan-2-ylazetidine;1-propan-2-ylaziridine;tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159452740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).