(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide

C21H30N4O — CID 126454471

IUPAC(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESN#C[C@@H]1CCCN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H30N4O/c22-15-20-7-4-11-25(17-20)21(26)23-16-19-9-13-24(14-10-19)12-8-18-5-2-1-3-6-18/h1-3,5-6,19-20H,4,7-14,16-17H2,(H,23,26)/t20-/m0/s1
InChIKeyPPUPKKHALCADLL-FQEVSTJZSA-N
MW354.50 g/mol
LogP2.89
Rot. Bonds5

About (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide

(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (PubChem CID 126454471) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
PubChem CID126454471
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESN#C[C@@H]1CCCN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H30N4O/c22-15-20-7-4-11-25(17-20)21(26)23-16-19-9-13-24(14-10-19)12-8-18-5-2-1-3-6-18/h1-3,5-6,19-20H,4,7-14,16-17H2,(H,23,26)/t20-/m0/s1
InChIKeyPPUPKKHALCADLL-FQEVSTJZSA-N
XLogP2.89
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
CID 72916114
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
CID 126434100
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126427116

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (CID 126454471) is (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is N#C[C@@H]1CCCN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The InChIKey is PPUPKKHALCADLL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N4O/c22-15-20-7-4-11-25(17-20)21(26)23-16-19-9-13-24(14-10-19)12-8-18-5-2-1-3-6-18/h1-3,5-6,19-20H,4,7-14,16-17H2,(H,23,26)/t20-/m0/s1.
What are the key properties of (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126454471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).