(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H30ClN3O2 — CID 120636997

IUPAC(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(N2CCCC(NC(=O)[C@H]3CCN[C@@H](C)C3)C2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-11-15(8-9-20-14)19(23)21-16-5-4-10-22(13-16)17-6-3-7-18(12-17)24-2;/h3,6-7,12,14-16,20H,4-5,8-11,13H2,1-2H3,(H,21,23);1H/t14-,15-,16?;/m0./s1
InChIKeyFHMYBDUTRMVNJD-OLMZZTMISA-N
MW367.92 g/mol
LogP2.59
Rot. Bonds4

About (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636997) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636997
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(N2CCCC(NC(=O)[C@H]3CCN[C@@H](C)C3)C2)c1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-11-15(8-9-20-14)19(23)21-16-5-4-10-22(13-16)17-6-3-7-18(12-17)24-2;/h3,6-7,12,14-16,20H,4-5,8-11,13H2,1-2H3,(H,21,23);1H/t14-,15-,16?;/m0./s1
InChIKeyFHMYBDUTRMVNJD-OLMZZTMISA-N
XLogP2.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86966191
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635297

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636997) is (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cccc(N2CCCC(NC(=O)[C@H]3CCN[C@@H](C)C3)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FHMYBDUTRMVNJD-OLMZZTMISA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14-11-15(8-9-20-14)19(23)21-16-5-4-10-22(13-16)17-6-3-7-18(12-17)24-2;/h3,6-7,12,14-16,20H,4-5,8-11,13H2,1-2H3,(H,21,23);1H/t14-,15-,16?;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).