3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide

C26H28ClN5O3 — CID 11598427

IUPAC3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
SMILESO=C(NC1CCNCC1NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C26H28ClN5O3/c27-20-14-29-22-13-17(6-9-19(20)22)26(35)30-21-10-11-28-15-23(21)31-25(34)16-4-7-18(8-5-16)32-12-2-1-3-24(32)33/h4-9,13-14,21,23,28-29H,1-3,10-12,15H2,(H,30,35)(H,31,34)
InChIKeyZGRNGRJSVIPLKU-UHFFFAOYSA-N
MW494.00 g/mol
LogP3.23
Rot. Bonds5

About 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide

3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide (PubChem CID 11598427) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
PubChem CID11598427
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC Name3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
SMILESO=C(NC1CCNCC1NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C26H28ClN5O3/c27-20-14-29-22-13-17(6-9-19(20)22)26(35)30-21-10-11-28-15-23(21)31-25(34)16-4-7-18(8-5-16)32-12-2-1-3-24(32)33/h4-9,13-14,21,23,28-29H,1-3,10-12,15H2,(H,30,35)(H,31,34)
InChIKeyZGRNGRJSVIPLKU-UHFFFAOYSA-N
XLogP3.23
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 11202747
3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58896263
N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide
CID 91569967
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
(4S)-4-[(3-chloro-1H-indole-6-carbonyl)amino]-5-oxo-5-[4-(2-oxopiperidin-1-yl)anilino]pentanoic acid
CID 69440994
N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 90888077
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 11488766
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1,3-oxazinan-3-yl)phenyl]carbamoyl]cyclohexyl]-1H-indole-6-carboxamide
CID 162120711
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
3-chloro-N-[(1S,2R)-2-[[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58714368
N-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 3410520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide (CID 11598427) is 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide is O=C(NC1CCNCC1NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide?
The InChIKey is ZGRNGRJSVIPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c27-20-14-29-22-13-17(6-9-19(20)22)26(35)30-21-10-11-28-15-23(21)31-25(34)16-4-7-18(8-5-16)32-12-2-1-3-24(32)33/h4-9,13-14,21,23,28-29H,1-3,10-12,15H2,(H,30,35)(H,31,34).
What are the key properties of 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide?
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide has a molecular weight of 494.00 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 11598427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).