N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H31N3O2 — CID 20854660

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H31N3O2/c1-2-18-7-3-4-14-23(18)15-6-13-22-21(26)17-9-11-19(12-10-17)24-16-5-8-20(24)25/h9-12,18H,2-8,13-16H2,1H3,(H,22,26)
InChIKeyAHZSDSQIBCQUBH-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.20
Rot. Bonds7

About N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 20854660) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID20854660
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H31N3O2/c1-2-18-7-3-4-14-23(18)15-6-13-22-21(26)17-9-11-19(12-10-17)24-16-5-8-20(24)25/h9-12,18H,2-8,13-16H2,1H3,(H,22,26)
InChIKeyAHZSDSQIBCQUBH-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 20854660) is N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCC1CCCCN1CCCNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AHZSDSQIBCQUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-18-7-3-4-14-23(18)15-6-13-22-21(26)17-9-11-19(12-10-17)24-16-5-8-20(24)25/h9-12,18H,2-8,13-16H2,1H3,(H,22,26).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 357.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 20854660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).