(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C17H27ClN2O2 — CID 120624355

IUPAC(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-4-13(3)21-16-7-5-15(6-8-16)19-17(20)14-9-10-18-12(2)11-14;/h5-8,12-14,18H,4,9-11H2,1-3H3,(H,19,20);1H/t12-,13?,14-;/m0./s1
InChIKeyUDOXUYREZMYHSH-CGTXZGBVSA-N
MW326.87 g/mol
LogP3.61
Rot. Bonds5

About (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120624355) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120624355
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-4-13(3)21-16-7-5-15(6-8-16)19-17(20)14-9-10-18-12(2)11-14;/h5-8,12-14,18H,4,9-11H2,1-3H3,(H,19,20);1H/t12-,13?,14-;/m0./s1
InChIKeyUDOXUYREZMYHSH-CGTXZGBVSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619213

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120624355) is (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is CCC(C)Oc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl.
What is the InChIKey of (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UDOXUYREZMYHSH-CGTXZGBVSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-4-13(3)21-16-7-5-15(6-8-16)19-17(20)14-9-10-18-12(2)11-14;/h5-8,12-14,18H,4,9-11H2,1-3H3,(H,19,20);1H/t12-,13?,14-;/m0./s1.
What are the key properties of (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).