1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide

C16H19N3O2 — CID 43397905

IUPAC1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c17-16(21)11-4-3-7-19(10-11)15(20)8-12-9-18-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,18H,3-4,7-8,10H2,(H2,17,21)
InChIKeyBRCSRSHHVMOKIG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.43
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide

1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 43397905) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID43397905
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c17-16(21)11-4-3-7-19(10-11)15(20)8-12-9-18-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,18H,3-4,7-8,10H2,(H2,17,21)
InChIKeyBRCSRSHHVMOKIG-UHFFFAOYSA-N
XLogP1.43
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide (CID 43397905) is 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is BRCSRSHHVMOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-16(21)11-4-3-7-19(10-11)15(20)8-12-9-18-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,18H,3-4,7-8,10H2,(H2,17,21).
What are the key properties of 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 43397905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).