(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C22H28N4O — CID 52518441

IUPAC(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C22H28N4O/c27-22(26-15-3-4-21(17-26)25-13-1-2-14-25)24-20-7-5-18(6-8-20)16-19-9-11-23-12-10-19/h5-12,21H,1-4,13-17H2,(H,24,27)/t21-/m1/s1
InChIKeyPIGASMKQMIEODG-OAQYLSRUSA-N
MW364.49 g/mol
LogP3.76
Rot. Bonds4

About (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 52518441) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID52518441
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C22H28N4O/c27-22(26-15-3-4-21(17-26)25-13-1-2-14-25)24-20-7-5-18(6-8-20)16-19-9-11-23-12-10-19/h5-12,21H,1-4,13-17H2,(H,24,27)/t21-/m1/s1
InChIKeyPIGASMKQMIEODG-OAQYLSRUSA-N
XLogP3.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 136513000
(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 126793079
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
ethyl 5-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 95302377

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 52518441) is (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is PIGASMKQMIEODG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(26-15-3-4-21(17-26)25-13-1-2-14-25)24-20-7-5-18(6-8-20)16-19-9-11-23-12-10-19/h5-12,21H,1-4,13-17H2,(H,24,27)/t21-/m1/s1.
What are the key properties of (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 52518441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).