(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide

C19H26ClN3O2 — CID 120620876

IUPAC(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CCN1
InChIInChI=1S/C19H26ClN3O2/c1-13-11-14(7-8-21-13)18(24)22-17-12-15(20)5-6-16(17)19(25)23-9-3-2-4-10-23/h5-6,12-14,21H,2-4,7-11H2,1H3,(H,22,24)/t13-,14-/m0/s1
InChIKeyKGPUGOGHQHWWLF-KBPBESRZSA-N
MW363.89 g/mol
LogP3.29
Rot. Bonds3

About (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120620876) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120620876
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CCN1
InChIInChI=1S/C19H26ClN3O2/c1-13-11-14(7-8-21-13)18(24)22-17-12-15(20)5-6-16(17)19(25)23-9-3-2-4-10-23/h5-6,12-14,21H,2-4,7-11H2,1H3,(H,22,24)/t13-,14-/m0/s1
InChIKeyKGPUGOGHQHWWLF-KBPBESRZSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621169
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 120624438
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
(2,5-dichlorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82250052
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55776981
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide (CID 120620876) is (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CCN1.
What is the InChIKey of (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is KGPUGOGHQHWWLF-KBPBESRZSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-13-11-14(7-8-21-13)18(24)22-17-12-15(20)5-6-16(17)19(25)23-9-3-2-4-10-23/h5-6,12-14,21H,2-4,7-11H2,1H3,(H,22,24)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120620876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).