N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C21H35N5O2 — CID 55462141

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)C1(C#N)CCCCC1
InChIInChI=1S/C21H35N5O2/c1-23(21(18-22)8-4-2-5-9-21)19(27)16-24-12-14-25(15-13-24)17-20(28)26-10-6-3-7-11-26/h2-17H2,1H3
InChIKeyMAMZZUZKLMFSIB-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.30
Rot. Bonds5

About N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 55462141) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID55462141
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)C1(C#N)CCCCC1
InChIInChI=1S/C21H35N5O2/c1-23(21(18-22)8-4-2-5-9-21)19(27)16-24-12-14-25(15-13-24)17-20(28)26-10-6-3-7-11-26/h2-17H2,1H3
InChIKeyMAMZZUZKLMFSIB-UHFFFAOYSA-N
XLogP1.30
TPSA70.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
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N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
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N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
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N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
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tert-butyl N-[1-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55842925
N-(1-cyanocyclohexyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-methylacetamide
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2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylacetic acid
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N-(1-cyanocyclohexyl)-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43393702
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 38517289
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 55462141) is N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is MAMZZUZKLMFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-23(21(18-22)8-4-2-5-9-21)19(27)16-24-12-14-25(15-13-24)17-20(28)26-10-6-3-7-11-26/h2-17H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55462141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).