(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide

C22H25N3O — CID 95764839

IUPAC(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-17(18-7-3-2-4-8-18)15-22(26)24-20-11-13-25(14-12-20)21-10-6-5-9-19(21)16-23/h2-10,17,20H,11-15H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyFMHJJDAXMMFGOX-QGZVFWFLSA-N
MW347.46 g/mol
LogP3.84
Rot. Bonds5

About (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide

(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide (PubChem CID 95764839) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
PubChem CID95764839
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-17(18-7-3-2-4-8-18)15-22(26)24-20-11-13-25(14-12-20)21-10-6-5-9-19(21)16-23/h2-10,17,20H,11-15H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyFMHJJDAXMMFGOX-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

(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
CID 56777931
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide
CID 67060668
(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
CID 124614264
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
(2R)-N-[(3R)-1-[1-(2-cyanophenyl)piperidin-4-yl]pyrrolidin-3-yl]-2-(3,4-difluorophenyl)-3-methylbutanamide
CID 91369342
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
3-(4-aminophenyl)-N-(2-cyanophenyl)butanamide
CID 104502015
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide (CID 95764839) is (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide is C[C@H](CC(=O)NC1CCN(c2ccccc2C#N)CC1)c1ccccc1.
What is the InChIKey of (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide?
The InChIKey is FMHJJDAXMMFGOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(18-7-3-2-4-8-18)15-22(26)24-20-11-13-25(14-12-20)21-10-6-5-9-19(21)16-23/h2-10,17,20H,11-15H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide?
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide 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 (3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide is sourced from PubChem (CID 95764839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).