(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide

C16H24N2O2 — CID 99970387

IUPAC(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-6-8-15(20-3)9-7-13)17-16(19)14-5-4-10-18(2)11-14/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyQHFZUPMUQGPBSS-JSGCOSHPSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds4

About (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide

(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 99970387) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID99970387
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-6-8-15(20-3)9-7-13)17-16(19)14-5-4-10-18(2)11-14/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyQHFZUPMUQGPBSS-JSGCOSHPSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531
(3R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100800595
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 97105682
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133163640
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide (CID 99970387) is (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide is COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1.
What is the InChIKey of (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is QHFZUPMUQGPBSS-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-6-8-15(20-3)9-7-13)17-16(19)14-5-4-10-18(2)11-14/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,17,19)/t12-,14-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide?
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99970387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).