N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H35N3O2 — CID 20968408

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c1-2-21-11-6-7-14-25(21)15-8-13-24-23(28)20-17-22(27)26(18-20)16-12-19-9-4-3-5-10-19/h3-5,9-10,20-21H,2,6-8,11-18H2,1H3,(H,24,28)
InChIKeyNFHUXVZCBSBRLW-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.85
Rot. Bonds9

About N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 20968408) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID20968408
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c1-2-21-11-6-7-14-25(21)15-8-13-24-23(28)20-17-22(27)26(18-20)16-12-19-9-4-3-5-10-19/h3-5,9-10,20-21H,2,6-8,11-18H2,1H3,(H,24,28)
InChIKeyNFHUXVZCBSBRLW-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.85
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]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 20968408) is N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CCC1CCCCN1CCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NFHUXVZCBSBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-21-11-6-7-14-25(21)15-8-13-24-23(28)20-17-22(27)26(18-20)16-12-19-9-4-3-5-10-19/h3-5,9-10,20-21H,2,6-8,11-18H2,1H3,(H,24,28).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 2.85, 9 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]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 20968408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).