N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C16H21F2N3O — CID 146121673

IUPACN-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H21F2N3O/c17-14-6-5-12(10-15(14)18)19-16(22)21-9-3-4-13(11-21)20-7-1-2-8-20/h5-6,10,13H,1-4,7-9,11H2,(H,19,22)
InChIKeyMCLJFYDAZMXGRC-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.06
Rot. Bonds2

About N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 146121673) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID146121673
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC NameN-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C16H21F2N3O/c17-14-6-5-12(10-15(14)18)19-16(22)21-9-3-4-13(11-21)20-7-1-2-8-20/h5-6,10,13H,1-4,7-9,11H2,(H,19,22)
InChIKeyMCLJFYDAZMXGRC-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 136513000
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518441
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(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-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 146121673) is N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is MCLJFYDAZMXGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O/c17-14-6-5-12(10-15(14)18)19-16(22)21-9-3-4-13(11-21)20-7-1-2-8-20/h5-6,10,13H,1-4,7-9,11H2,(H,19,22).
What are the key properties of N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 146121673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).