N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide

C21H30N4O — CID 98844659

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide
SMILESCN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H30N4O/c1-23-13-14-25(19(15-23)18-9-5-3-6-10-18)16-20(26)24(2)21(17-22)11-7-4-8-12-21/h3,5-6,9-10,19H,4,7-8,11-16H2,1-2H3/t19-/m1/s1
InChIKeyZWCFENGPGMEJJH-LJQANCHMSA-N
MW354.50 g/mol
LogP2.66
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide (PubChem CID 98844659) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide
PubChem CID98844659
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide
SMILESCN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H30N4O/c1-23-13-14-25(19(15-23)18-9-5-3-6-10-18)16-20(26)24(2)21(17-22)11-7-4-8-12-21/h3,5-6,9-10,19H,4,7-8,11-16H2,1-2H3/t19-/m1/s1
InChIKeyZWCFENGPGMEJJH-LJQANCHMSA-N
XLogP2.66
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 65249965
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
5-[(2S)-1-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129332772
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78962673
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 38063405
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 43016293
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462141
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
N-(1-cyanocyclohexyl)-N-methyl-2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 154736844

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide (CID 98844659) is N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide is CN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide?
The InChIKey is ZWCFENGPGMEJJH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N4O/c1-23-13-14-25(19(15-23)18-9-5-3-6-10-18)16-20(26)24(2)21(17-22)11-7-4-8-12-21/h3,5-6,9-10,19H,4,7-8,11-16H2,1-2H3/t19-/m1/s1.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide is sourced from PubChem (CID 98844659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).