(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C16H24ClN3O2 — CID 120620817

IUPAC(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1C.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-10-4-5-14(9-15(10)18-12(3)20)19-16(21)13-6-7-17-11(2)8-13;/h4-5,9,11,13,17H,6-8H2,1-3H3,(H,18,20)(H,19,21);1H/t11-,13-;/m0./s1
InChIKeyUVGVWIOGKSUADJ-JZKFLRDJSA-N
MW325.84 g/mol
LogP2.70
Rot. Bonds3

About (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120620817) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120620817
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1C.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-10-4-5-14(9-15(10)18-12(3)20)19-16(21)13-6-7-17-11(2)8-13;/h4-5,9,11,13,17H,6-8H2,1-3H3,(H,18,20)(H,19,21);1H/t11-,13-;/m0./s1
InChIKeyUVGVWIOGKSUADJ-JZKFLRDJSA-N
XLogP2.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615925
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
(2S,4S)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635307
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120620817) is (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is CC(=O)Nc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1C.Cl.
What is the InChIKey of (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UVGVWIOGKSUADJ-JZKFLRDJSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-10-4-5-14(9-15(10)18-12(3)20)19-16(21)13-6-7-17-11(2)8-13;/h4-5,9,11,13,17H,6-8H2,1-3H3,(H,18,20)(H,19,21);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).