(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

C14H19FN2O — CID 81139962

IUPAC(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-10(11-4-6-13(15)7-5-11)17-14(18)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyXIOWZMICPBCJBU-TVKKRMFBSA-N
MW250.32 g/mol
LogP2.00
Rot. Bonds3

About (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81139962) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID81139962
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-10(11-4-6-13(15)7-5-11)17-14(18)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)/t10?,12-/m1/s1
InChIKeyXIOWZMICPBCJBU-TVKKRMFBSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 119318070
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 81139962) is (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is CC(NC(=O)[C@@H]1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is XIOWZMICPBCJBU-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(11-4-6-13(15)7-5-11)17-14(18)12-3-2-8-16-9-12/h4-7,10,12,16H,2-3,8-9H2,1H3,(H,17,18)/t10?,12-/m1/s1.
What are the key properties of (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81139962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).