(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide

C18H26ClN3O2 — CID 120628461

IUPAC(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C18H26ClN3O2/c1-11(2)22(4)18(24)14-5-6-15(19)16(10-14)21-17(23)13-7-8-20-12(3)9-13/h5-6,10-13,20H,7-9H2,1-4H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyITRRHZBVQWSKOS-STQMWFEESA-N
MW351.88 g/mol
LogP3.15
Rot. Bonds4

About (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120628461) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120628461
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCN[C@@H](C)C2)c1
InChIInChI=1S/C18H26ClN3O2/c1-11(2)22(4)18(24)14-5-6-15(19)16(10-14)21-17(23)13-7-8-20-12(3)9-13/h5-6,10-13,20H,7-9H2,1-4H3,(H,21,23)/t12-,13-/m0/s1
InChIKeyITRRHZBVQWSKOS-STQMWFEESA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
CID 119759863
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
1-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079612
1-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102349
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119309782
4-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoylamino]butanoic acid
CID 122079613
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738532
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
(2S,4S)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635307

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide (CID 120628461) is (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide is CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.
What is the InChIKey of (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ITRRHZBVQWSKOS-STQMWFEESA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-11(2)22(4)18(24)14-5-6-15(19)16(10-14)21-17(23)13-7-8-20-12(3)9-13/h5-6,10-13,20H,7-9H2,1-4H3,(H,21,23)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120628461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).