N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide

C17H21N3O3 — CID 3543999

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1
InChIInChI=1S/C17H21N3O3/c1-23-12-4-5-15-14(9-12)11(10-20-15)6-8-19-17(22)13-3-2-7-18-16(13)21/h4-5,9-10,13,20H,2-3,6-8H2,1H3,(H,18,21)(H,19,22)
InChIKeyVUOSKYDVWYHMGW-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide (PubChem CID 3543999) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
PubChem CID3543999
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1
InChIInChI=1S/C17H21N3O3/c1-23-12-4-5-15-14(9-12)11(10-20-15)6-8-19-17(22)13-3-2-7-18-16(13)21/h4-5,9-10,13,20H,2-3,6-8H2,1H3,(H,18,21)(H,19,22)
InChIKeyVUOSKYDVWYHMGW-UHFFFAOYSA-N
XLogP1.36
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide (CID 3543999) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is VUOSKYDVWYHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-12-4-5-15-14(9-12)11(10-20-15)6-8-19-17(22)13-3-2-7-18-16(13)21/h4-5,9-10,13,20H,2-3,6-8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3543999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).