1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide

C23H25N3O2 — CID 41108899

IUPAC1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c24-23(28)18-10-12-25(13-11-18)22(27)14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,16,18H,10-15H2,(H2,24,28)
InChIKeyGPIXINQQBYBOQU-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide

1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 41108899) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID41108899
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c24-23(28)18-10-12-25(13-11-18)22(27)14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,16,18H,10-15H2,(H2,24,28)
InChIKeyGPIXINQQBYBOQU-UHFFFAOYSA-N
XLogP2.96
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
CID 41108918
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
1-(azepan-1-yl)-2-[1-[(3-chlorophenyl)methyl]indol-3-yl]ethanone
CID 12004832
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
CID 41108922
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide (CID 41108899) is 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is GPIXINQQBYBOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c24-23(28)18-10-12-25(13-11-18)22(27)14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,16,18H,10-15H2,(H2,24,28).
What are the key properties of 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide?
1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 41108899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).