(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide

C22H32N4O — CID 9357237

IUPAC(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H32N4O/c1-18(22(27)24(2)21-6-4-3-5-7-21)26-14-12-25(13-15-26)17-20-10-8-19(16-23)9-11-20/h8-11,18,21H,3-7,12-15,17H2,1-2H3/t18-/m0/s1
InChIKeyVRAJGUSQTNLABW-SFHVURJKSA-N
MW368.53 g/mol
LogP2.86
Rot. Bonds5

About (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide

(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 9357237) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID9357237
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H32N4O/c1-18(22(27)24(2)21-6-4-3-5-7-21)26-14-12-25(13-15-26)17-20-10-8-19(16-23)9-11-20/h8-11,18,21H,3-7,12-15,17H2,1-2H3/t18-/m0/s1
InChIKeyVRAJGUSQTNLABW-SFHVURJKSA-N
XLogP2.86
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 9399060
(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide
CID 9399043
4-[[4-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 42934037
N-cyclohexyl-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792835
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55355626
(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30621428
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 30620317
4-[[4-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]methyl]benzonitrile
CID 55525037
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786222
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide (CID 9357237) is (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide is C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is VRAJGUSQTNLABW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H32N4O/c1-18(22(27)24(2)21-6-4-3-5-7-21)26-14-12-25(13-15-26)17-20-10-8-19(16-23)9-11-20/h8-11,18,21H,3-7,12-15,17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 368.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 9357237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).