(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide

C22H32N4O — CID 9399060

IUPAC(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H32N4O/c1-17-5-3-4-6-21(17)24-22(27)18(2)26-13-11-25(12-14-26)16-20-9-7-19(15-23)8-10-20/h7-10,17-18,21H,3-6,11-14,16H2,1-2H3,(H,24,27)/t17-,18-,21-/m1/s1
InChIKeyFUKXGVPQNAZHNN-DBXWQHBBSA-N
MW368.53 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide

(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (PubChem CID 9399060) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
PubChem CID9399060
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H32N4O/c1-17-5-3-4-6-21(17)24-22(27)18(2)26-13-11-25(12-14-26)16-20-9-7-19(15-23)8-10-20/h7-10,17-18,21H,3-6,11-14,16H2,1-2H3,(H,24,27)/t17-,18-,21-/m1/s1
InChIKeyFUKXGVPQNAZHNN-DBXWQHBBSA-N
XLogP2.76
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide with MolForge

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Related Compounds

(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8721271
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 138050387
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 9357237
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55355629
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55355626
4-[[4-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 42934037
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide
CID 55432712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (CID 9399060) is (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is FUKXGVPQNAZHNN-DBXWQHBBSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-5-3-4-6-21(17)24-22(27)18(2)26-13-11-25(12-14-26)16-20-9-7-19(15-23)8-10-20/h7-10,17-18,21H,3-6,11-14,16H2,1-2H3,(H,24,27)/t17-,18-,21-/m1/s1.
What are the key properties of (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 368.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 9399060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).