(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide

C19H30N2O — CID 120616178

IUPAC(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C19H30N2O/c1-12(2)16-7-6-8-17(13(3)4)18(16)21-19(22)15-9-10-20-14(5)11-15/h6-8,12-15,20H,9-11H2,1-5H3,(H,21,22)/t14-,15-/m0/s1
InChIKeyWIMNPUQNAZMYCH-GJZGRUSLSA-N
MW302.46 g/mol
LogP4.26
Rot. Bonds4

About (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120616178) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120616178
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C19H30N2O/c1-12(2)16-7-6-8-17(13(3)4)18(16)21-19(22)15-9-10-20-14(5)11-15/h6-8,12-15,20H,9-11H2,1-5H3,(H,21,22)/t14-,15-/m0/s1
InChIKeyWIMNPUQNAZMYCH-GJZGRUSLSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 107599839
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633740
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide (CID 120616178) is (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is WIMNPUQNAZMYCH-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H30N2O/c1-12(2)16-7-6-8-17(13(3)4)18(16)21-19(22)15-9-10-20-14(5)11-15/h6-8,12-15,20H,9-11H2,1-5H3,(H,21,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120616178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).