1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide

C18H23N3O2 — CID 110794090

IUPAC1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-12-16(15-5-3-4-6-17(15)20-12)11-19-18(23)14-7-9-21(10-8-14)13(2)22/h3-6,14,20H,7-11H2,1-2H3,(H,19,23)
InChIKeySJNQKWSZGHFJEQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.35
Rot. Bonds3

About 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 110794090) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID110794090
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-12-16(15-5-3-4-6-17(15)20-12)11-19-18(23)14-7-9-21(10-8-14)13(2)22/h3-6,14,20H,7-11H2,1-2H3,(H,19,23)
InChIKeySJNQKWSZGHFJEQ-UHFFFAOYSA-N
XLogP2.35
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
CID 113086637
4-[(2-methyl-1H-indol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65054581
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
[4-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 113086605
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide (CID 110794090) is 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is SJNQKWSZGHFJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-16(15-5-3-4-6-17(15)20-12)11-19-18(23)14-7-9-21(10-8-14)13(2)22/h3-6,14,20H,7-11H2,1-2H3,(H,19,23).
What are the key properties of 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110794090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).