1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide

C21H27N3O2 — CID 118776913

IUPAC1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCCN1C(=O)C1CC1
InChIInChI=1S/C21H27N3O2/c1-14-16(17-6-2-3-7-18(17)23-14)11-12-22-20(25)19-8-4-5-13-24(19)21(26)15-9-10-15/h2-3,6-7,15,19,23H,4-5,8-13H2,1H3,(H,22,25)
InChIKeyHTAJEJMJGKZHMO-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.93
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide (PubChem CID 118776913) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
PubChem CID118776913
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCCN1C(=O)C1CC1
InChIInChI=1S/C21H27N3O2/c1-14-16(17-6-2-3-7-18(17)23-14)11-12-22-20(25)19-8-4-5-13-24(19)21(26)15-9-10-15/h2-3,6-7,15,19,23H,4-5,8-13H2,1H3,(H,22,25)
InChIKeyHTAJEJMJGKZHMO-UHFFFAOYSA-N
XLogP2.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.93
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

(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3273445
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 97338296
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 95141300

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide (CID 118776913) is 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)C1CCCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is HTAJEJMJGKZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14-16(17-6-2-3-7-18(17)23-14)11-12-22-20(25)19-8-4-5-13-24(19)21(26)15-9-10-15/h2-3,6-7,15,19,23H,4-5,8-13H2,1H3,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 118776913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).