(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide

C15H22N2O2 — CID 120622248

IUPAC(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCOCc1ccccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(7-8-16-11)15(18)17-14-6-4-3-5-13(14)10-19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeySSHGRWNHGKPZAK-RYUDHWBXSA-N
MW262.35 g/mol
LogP2.16
Rot. Bonds4

About (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120622248) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120622248
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCOCc1ccccc1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(7-8-16-11)15(18)17-14-6-4-3-5-13(14)10-19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeySSHGRWNHGKPZAK-RYUDHWBXSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
(2S,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636792
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560
(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617172

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide (CID 120622248) is (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide is COCc1ccccc1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is SSHGRWNHGKPZAK-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-12(7-8-16-11)15(18)17-14-6-4-3-5-13(14)10-19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120622248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).