(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide

C27H31ClN4O3 — CID 98681913

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C27H31ClN4O3/c28-20-11-12-24(29-16-20)30-25(33)19-7-5-14-31(17-19)26(34)21-8-2-3-9-22(21)27(35)32-15-13-18-6-1-4-10-23(18)32/h1,4,6,10-12,16,19,21-22H,2-3,5,7-9,13-15,17H2,(H,29,30,33)/t19-,21-,22+/m1/s1
InChIKeyMRROJARUNWGRBC-FCEUIQTBSA-N
MW495.02 g/mol
LogP4.31
Rot. Bonds4

About (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide (PubChem CID 98681913) has the molecular formula C27H31ClN4O3 and a molecular weight of 495.02 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide
PubChem CID98681913
Molecular FormulaC27H31ClN4O3
Molecular Weight495.02 g/mol
Exact Mass494.21
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C27H31ClN4O3/c28-20-11-12-24(29-16-20)30-25(33)19-7-5-14-31(17-19)26(34)21-8-2-3-9-22(21)27(35)32-15-13-18-6-1-4-10-23(18)32/h1,4,6,10-12,16,19,21-22H,2-3,5,7-9,13-15,17H2,(H,29,30,33)/t19-,21-,22+/m1/s1
InChIKeyMRROJARUNWGRBC-FCEUIQTBSA-N
XLogP4.31
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.02
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-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

1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 55994770
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 95296662
N-(5-chloro-2-pyridinyl)-1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxamide
CID 55924278
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
CID 56505966
N-(5-chloro-2-pyridinyl)-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 55940452
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide (CID 98681913) is (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
The InChIKey is MRROJARUNWGRBC-FCEUIQTBSA-N. The full InChI is InChI=1S/C27H31ClN4O3/c28-20-11-12-24(29-16-20)30-25(33)19-7-5-14-31(17-19)26(34)21-8-2-3-9-22(21)27(35)32-15-13-18-6-1-4-10-23(18)32/h1,4,6,10-12,16,19,21-22H,2-3,5,7-9,13-15,17H2,(H,29,30,33)/t19-,21-,22+/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide has a molecular weight of 495.02 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 98681913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).