(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C18H29ClN2O — CID 120625268

IUPAC(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)c2ccc(C(C)(C)C)cc2)CCN1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-12-14(10-11-19-13)17(21)20(5)16-8-6-15(7-9-16)18(2,3)4;/h6-9,13-14,19H,10-12H2,1-5H3;1H/t13-,14-;/m0./s1
InChIKeyVWWPQFFLIBQHQO-IODNYQNNSA-N
MW324.90 g/mol
LogP3.76
Rot. Bonds2

About (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120625268) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120625268
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)c2ccc(C(C)(C)C)cc2)CCN1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-12-14(10-11-19-13)17(21)20(5)16-8-6-15(7-9-16)18(2,3)4;/h6-9,13-14,19H,10-12H2,1-5H3;1H/t13-,14-;/m0./s1
InChIKeyVWWPQFFLIBQHQO-IODNYQNNSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
N-(4-hydroxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 107734439
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120637188
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
(2S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 120625197
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120625268) is (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(C)c2ccc(C(C)(C)C)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VWWPQFFLIBQHQO-IODNYQNNSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13-12-14(10-11-19-13)17(21)20(5)16-8-6-15(7-9-16)18(2,3)4;/h6-9,13-14,19H,10-12H2,1-5H3;1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-tert-butylphenyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120625268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).