N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide

C23H26N4O2 — CID 134048899

IUPACN-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)[nH]c2c1
InChIInChI=1S/C23H26N4O2/c1-14-10-15(2)17-13-20(25-18(17)11-14)23(29)26-19-12-16(22(24)28)6-7-21(19)27-8-4-3-5-9-27/h6-7,10-13,25H,3-5,8-9H2,1-2H3,(H2,24,28)(H,26,29)
InChIKeyXQJKFSPAWNXAQV-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.13
Rot. Bonds4

About N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 134048899) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID134048899
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)[nH]c2c1
InChIInChI=1S/C23H26N4O2/c1-14-10-15(2)17-13-20(25-18(17)11-14)23(29)26-19-12-16(22(24)28)6-7-21(19)27-8-4-3-5-9-27/h6-7,10-13,25H,3-5,8-9H2,1-2H3,(H2,24,28)(H,26,29)
InChIKeyXQJKFSPAWNXAQV-UHFFFAOYSA-N
XLogP4.13
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 25384816
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 55552861
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46700238

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide (CID 134048899) is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)[nH]c2c1.
What is the InChIKey of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is XQJKFSPAWNXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-10-15(2)17-13-20(25-18(17)11-14)23(29)26-19-12-16(22(24)28)6-7-21(19)27-8-4-3-5-9-27/h6-7,10-13,25H,3-5,8-9H2,1-2H3,(H2,24,28)(H,26,29).
What are the key properties of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 134048899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).