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

C19H31ClN2O2 — CID 120620551

IUPAC(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(C(=O)[C@H]1CCN[C@@H](C)C1)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-21(19(22)17-10-11-20-14(2)12-17)15(3)13-16-6-8-18(23-4)9-7-16;/h6-9,14-15,17,20H,5,10-13H2,1-4H3;1H/t14-,15?,17-;/m0./s1
InChIKeyQJNQHYMVPVUBGZ-SVZQHNNKSA-N
MW354.92 g/mol
LogP3.28
Rot. Bonds6

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

(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120620551) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120620551
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(C(=O)[C@H]1CCN[C@@H](C)C1)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-21(19(22)17-10-11-20-14(2)12-17)15(3)13-16-6-8-18(23-4)9-7-16;/h6-9,14-15,17,20H,5,10-13H2,1-4H3;1H/t14-,15?,17-;/m0./s1
InChIKeyQJNQHYMVPVUBGZ-SVZQHNNKSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 95175385
(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633818
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743
3-(4-methoxyphenyl)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 120626309
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624877

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120620551) is (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(C(=O)[C@H]1CCN[C@@H](C)C1)C(C)Cc1ccc(OC)cc1.Cl.
What is the InChIKey of (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QJNQHYMVPVUBGZ-SVZQHNNKSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-5-21(19(22)17-10-11-20-14(2)12-17)15(3)13-16-6-8-18(23-4)9-7-16;/h6-9,14-15,17,20H,5,10-13H2,1-4H3;1H/t14-,15?,17-;/m0./s1.
What are the key properties of (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).