N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide

C17H21N3O2 — CID 3137656

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCNC1=O
InChIInChI=1S/C17H21N3O2/c1-11(20-17(22)14-6-4-8-18-16(14)21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,19H,4,6,8-9H2,1H3,(H,18,21)(H,20,22)
InChIKeyMZURRFOUDOALSB-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.74
Rot. Bonds4

About N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide

N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide (PubChem CID 3137656) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide
PubChem CID3137656
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCNC1=O
InChIInChI=1S/C17H21N3O2/c1-11(20-17(22)14-6-4-8-18-16(14)21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,19H,4,6,8-9H2,1H3,(H,18,21)(H,20,22)
InChIKeyMZURRFOUDOALSB-UHFFFAOYSA-N
XLogP1.74
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide (CID 3137656) is N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide is CC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCNC1=O.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide?
The InChIKey is MZURRFOUDOALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(20-17(22)14-6-4-8-18-16(14)21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,19H,4,6,8-9H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3137656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).