(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide

C15H21FN2O2 — CID 120637188

IUPAC(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(6-7-17-10)15(19)18(2)12-4-5-14(20-3)13(16)9-12/h4-5,9-11,17H,6-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyCCDFMYFWJXMRFT-QWRGUYRKSA-N
MW280.34 g/mol
LogP2.19
Rot. Bonds3

About (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120637188) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120637188
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10-8-11(6-7-17-10)15(19)18(2)12-4-5-14(20-3)13(16)9-12/h4-5,9-11,17H,6-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyCCDFMYFWJXMRFT-QWRGUYRKSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
N-(4-hydroxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 107734439
(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120625268
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621587
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119807515

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide (CID 120637188) is (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide is COc1ccc(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1F.
What is the InChIKey of (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is CCDFMYFWJXMRFT-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-11(6-7-17-10)15(19)18(2)12-4-5-14(20-3)13(16)9-12/h4-5,9-11,17H,6-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120637188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).