(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide

C14H18F2N2O — CID 81123282

IUPAC(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCNC1)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-9(12-7-11(15)4-5-13(12)16)18-14(19)10-3-2-6-17-8-10/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)/t9?,10-/m1/s1
InChIKeyNPCSSPJMIHDOMI-QVDQXJPCSA-N
MW268.31 g/mol
LogP2.14
Rot. Bonds3

About (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide

(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81123282) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID81123282
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCNC1)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-9(12-7-11(15)4-5-13(12)16)18-14(19)10-3-2-6-17-8-10/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)/t9?,10-/m1/s1
InChIKeyNPCSSPJMIHDOMI-QVDQXJPCSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119343651
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide (CID 81123282) is (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)[C@@H]1CCCNC1)c1cc(F)ccc1F.
What is the InChIKey of (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is NPCSSPJMIHDOMI-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9(12-7-11(15)4-5-13(12)16)18-14(19)10-3-2-6-17-8-10/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)/t9?,10-/m1/s1.
What are the key properties of (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).