(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

C15H21FN2O2 — CID 120641011

IUPAC(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1cc(F)cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C15H21FN2O2/c1-10-5-12(3-4-17-10)15(19)18-9-11-6-13(16)8-14(7-11)20-2/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,18,19)/t10-,12-/m0/s1
InChIKeyLDWCUHRODVTPRY-JQWIXIFHSA-N
MW280.34 g/mol
LogP1.84
Rot. Bonds4

About (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120641011) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120641011
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1cc(F)cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C15H21FN2O2/c1-10-5-12(3-4-17-10)15(19)18-9-11-6-13(16)8-14(7-11)20-2/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,18,19)/t10-,12-/m0/s1
InChIKeyLDWCUHRODVTPRY-JQWIXIFHSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641010
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 120641011) is (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is COc1cc(F)cc(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.
What is the InChIKey of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is LDWCUHRODVTPRY-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-5-12(3-4-17-10)15(19)18-9-11-6-13(16)8-14(7-11)20-2/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,18,19)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120641011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).