(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide

C16H23FN2O — CID 120637835

IUPAC(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)cc1F
InChIInChI=1S/C16H23FN2O/c1-10-4-5-13(9-15(10)17)12(3)19-16(20)14-6-7-18-11(2)8-14/h4-5,9,11-12,14,18H,6-8H2,1-3H3,(H,19,20)/t11-,12?,14-/m0/s1
InChIKeyAWBAZQOAQCMGJU-PSIKVXPXSA-N
MW278.37 g/mol
LogP2.70
Rot. Bonds3

About (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120637835) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120637835
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)cc1F
InChIInChI=1S/C16H23FN2O/c1-10-4-5-13(9-15(10)17)12(3)19-16(20)14-6-7-18-11(2)8-14/h4-5,9,11-12,14,18H,6-8H2,1-3H3,(H,19,20)/t11-,12?,14-/m0/s1
InChIKeyAWBAZQOAQCMGJU-PSIKVXPXSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638097
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120638054
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739144
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633740
(2S,4S)-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 120631942
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636935

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120637835) is (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)[C@H]2CCN[C@@H](C)C2)cc1F.
What is the InChIKey of (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is AWBAZQOAQCMGJU-PSIKVXPXSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10-4-5-13(9-15(10)17)12(3)19-16(20)14-6-7-18-11(2)8-14/h4-5,9,11-12,14,18H,6-8H2,1-3H3,(H,19,20)/t11-,12?,14-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120637835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).