1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone

C39H82N10O3 — CID 158181756

IUPAC1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone
SMILESC.C1CCC(N2CCNCC2)CC1.CC(=O)C1CCCN1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1
InChIInChI=1S/C10H20N2.C8H18N2.C7H15N3O.C7H14N2O.C6H11NO.CH4/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;1-5(8)6-3-2-4-7-6;/h10-11H,1-9H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6-7H,2-4H2,1H3;1H4
InChIKeyFYRFVRITCGPFQE-UHFFFAOYSA-N
MW739.15 g/mol
LogP1.20
Rot. Bonds7

About 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone

1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone (PubChem CID 158181756) has the molecular formula C39H82N10O3 and a molecular weight of 739.15 g/mol. Its IUPAC name is 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone
PubChem CID158181756
Molecular FormulaC39H82N10O3
Molecular Weight739.15 g/mol
Exact Mass738.66
IUPAC Name1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone
SMILESC.C1CCC(N2CCNCC2)CC1.CC(=O)C1CCCN1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1
InChIInChI=1S/C10H20N2.C8H18N2.C7H15N3O.C7H14N2O.C6H11NO.CH4/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;1-5(8)6-3-2-4-7-6;/h10-11H,1-9H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6-7H,2-4H2,1H3;1H4
InChIKeyFYRFVRITCGPFQE-UHFFFAOYSA-N
XLogP1.20
TPSA136.35 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.15
LogP ≤ 51.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone with MolForge

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Related Compounds

(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 158541431
1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;pyrrolidine-2-carboxamide
CID 161271167

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone?
The IUPAC name of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone (CID 158181756) is 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone is C.C1CCC(N2CCNCC2)CC1.CC(=O)C1CCCN1.CC(C)CN1CCNCC1.CN(C)C(=O)C1CCCN1.CNC(=O)CN1CCNCC1.
What is the InChIKey of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone?
The InChIKey is FYRFVRITCGPFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C8H18N2.C7H15N3O.C7H14N2O.C6H11NO.CH4/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-8(2)7-10-5-3-9-4-6-10;1-8-7(11)6-10-4-2-9-3-5-10;1-9(2)7(10)6-4-3-5-8-6;1-5(8)6-3-2-4-7-6;/h10-11H,1-9H2;8-9H,3-7H2,1-2H3;9H,2-6H2,1H3,(H,8,11);6,8H,3-5H2,1-2H3;6-7H,2-4H2,1H3;1H4.
What are the key properties of 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone?
1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone has a molecular weight of 739.15 g/mol, XLogP of 1.20, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperazine;N,N-dimethylpyrrolidine-2-carboxamide;methane;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 158181756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).