(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride

C20H32ClN3O — CID 120636947

IUPAC(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-15-14-18(8-11-21-15)20(24)22-19-9-12-23(13-10-19)16(2)17-6-4-3-5-7-17;/h3-7,15-16,18-19,21H,8-14H2,1-2H3,(H,22,24);1H/t15-,16?,18-;/m0./s1
InChIKeyKCRUMEJPGIXFFC-LXENZGIRSA-N
MW365.95 g/mol
LogP3.14
Rot. Bonds4

About (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120636947) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID120636947
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-15-14-18(8-11-21-15)20(24)22-19-9-12-23(13-10-19)16(2)17-6-4-3-5-7-17;/h3-7,15-16,18-19,21H,8-14H2,1-2H3,(H,22,24);1H/t15-,16?,18-;/m0./s1
InChIKeyKCRUMEJPGIXFFC-LXENZGIRSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633533

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride (CID 120636947) is (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride is CC(c1ccccc1)N1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KCRUMEJPGIXFFC-LXENZGIRSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/c1-15-14-18(8-11-21-15)20(24)22-19-9-12-23(13-10-19)16(2)17-6-4-3-5-7-17;/h3-7,15-16,18-19,21H,8-14H2,1-2H3,(H,22,24);1H/t15-,16?,18-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).