1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide

C23H25N3O2 — CID 118764711

IUPAC1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)CC1
InChIInChI=1S/C23H25N3O2/c1-23(22(28)24-2)9-12-26(13-10-23)21(27)19-5-3-4-17(14-19)18-7-6-16-8-11-25-20(16)15-18/h3-8,11,14-15,25H,9-10,12-13H2,1-2H3,(H,24,28)
InChIKeyLGRFGXJVRJUQGD-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.82
Rot. Bonds3

About 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide

1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide (PubChem CID 118764711) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide
PubChem CID118764711
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)CC1
InChIInChI=1S/C23H25N3O2/c1-23(22(28)24-2)9-12-26(13-10-23)21(27)19-5-3-4-17(14-19)18-7-6-16-8-11-25-20(16)15-18/h3-8,11,14-15,25H,9-10,12-13H2,1-2H3,(H,24,28)
InChIKeyLGRFGXJVRJUQGD-UHFFFAOYSA-N
XLogP3.82
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
CID 118769094
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494072
[(2S)-4-(1H-indole-6-carbonyl)-2-methylpiperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 46880495
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56907275
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
1-[5-(1H-indol-6-yl)naphthalene-1-carbonyl]-3-methylpiperidine-3-carboxamide
CID 175642708

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide (CID 118764711) is 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)CC1.
What is the InChIKey of 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide?
The InChIKey is LGRFGXJVRJUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(22(28)24-2)9-12-26(13-10-23)21(27)19-5-3-4-17(14-19)18-7-6-16-8-11-25-20(16)15-18/h3-8,11,14-15,25H,9-10,12-13H2,1-2H3,(H,24,28).
What are the key properties of 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide?
1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 118764711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).