(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide

C22H25N3O — CID 2535656

IUPAC(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c1-17(22(26)24-21-9-5-8-20(15-21)16-23)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,17,19H,10-14H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyCQSZRWLIWGLSJM-QGZVFWFLSA-N
MW347.46 g/mol
LogP3.84
Rot. Bonds5

About (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide

(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide (PubChem CID 2535656) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
PubChem CID2535656
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c1-17(22(26)24-21-9-5-8-20(15-21)16-23)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,17,19H,10-14H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyCQSZRWLIWGLSJM-QGZVFWFLSA-N
XLogP3.84
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119419687
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 2526343
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide (CID 2535656) is (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide is C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide?
The InChIKey is CQSZRWLIWGLSJM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(22(26)24-21-9-5-8-20(15-21)16-23)25-12-10-19(11-13-25)14-18-6-3-2-4-7-18/h2-9,15,17,19H,10-14H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide?
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 2535656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).