2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine

C42H89N7O2 — CID 158245312

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C(=O)N1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)OC1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C9H19NO.C9H19N.C8H18N2.C7H15N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-4-8(3)5-7/h8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyGGAUZBKFSMMYGX-UHFFFAOYSA-N
MW724.22 g/mol
LogP5.75
Rot. Bonds6

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine (PubChem CID 158245312) has the molecular formula C42H89N7O2 and a molecular weight of 724.22 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
PubChem CID158245312
Molecular FormulaC42H89N7O2
Molecular Weight724.22 g/mol
Exact Mass723.71
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C(=O)N1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)OC1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C9H19NO.C9H19N.C8H18N2.C7H15N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-4-8(3)5-7/h8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3
InChIKeyGGAUZBKFSMMYGX-UHFFFAOYSA-N
XLogP5.75
TPSA48.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.22
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 43747768
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 126752760
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine (CID 158245312) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine is CC(C)C(=O)N1CCN(C)CC1.CC(C)C1CCN(C)CC1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)OC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?
The InChIKey is GGAUZBKFSMMYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H19NO.C9H19N.C8H18N2.C7H15N/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-4-8(3)5-7/h8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 724.22 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 158245312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).