(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide

C15H21FN2O — CID 81134243

IUPAC(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O/c1-11-9-14(16)5-4-12(11)6-8-18-15(19)13-3-2-7-17-10-13/h4-5,9,13,17H,2-3,6-8,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyYIGLROPBENZPCD-CYBMUJFWSA-N
MW264.34 g/mol
LogP1.79
Rot. Bonds4

About (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide

(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81134243) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID81134243
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O/c1-11-9-14(16)5-4-12(11)6-8-18-15(19)13-3-2-7-17-10-13/h4-5,9,13,17H,2-3,6-8,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyYIGLROPBENZPCD-CYBMUJFWSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740349
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 115159581
(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637776
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
(3R)-N-[2-[2-hydroxy-4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 145433409
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide (CID 81134243) is (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1cc(F)ccc1CCNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is YIGLROPBENZPCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-9-14(16)5-4-12(11)6-8-18-15(19)13-3-2-7-17-10-13/h4-5,9,13,17H,2-3,6-8,10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide?
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81134243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).