(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

C19H30ClN3O2 — CID 120628608

IUPAC(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-12(2)11-21-18(23)15-5-6-17(13(3)9-15)22-19(24)16-7-8-20-14(4)10-16;/h5-6,9,12,14,16,20H,7-8,10-11H2,1-4H3,(H,21,23)(H,22,24);1H/t14-,16-;/m0./s1
InChIKeyZGUGYTATADZFGD-DMLYUBSXSA-N
MW367.92 g/mol
LogP3.13
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120628608) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120628608
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-12(2)11-21-18(23)15-5-6-17(13(3)9-15)22-19(24)16-7-8-20-14(4)10-16;/h5-6,9,12,14,16,20H,7-8,10-11H2,1-4H3,(H,21,23)(H,22,24);1H/t14-,16-;/m0./s1
InChIKeyZGUGYTATADZFGD-DMLYUBSXSA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615925
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120620900
(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 120630841
4-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119760392
3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56582986
(2S,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636792
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
3-bromo-4-[(2-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 106740129

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120628608) is (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZGUGYTATADZFGD-DMLYUBSXSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-12(2)11-21-18(23)15-5-6-17(13(3)9-15)22-19(24)16-7-8-20-14(4)10-16;/h5-6,9,12,14,16,20H,7-8,10-11H2,1-4H3,(H,21,23)(H,22,24);1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120628608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).