1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide

C20H35N3O2 — CID 3320050

IUPAC1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C20H35N3O2/c1-16-8-5-6-14-22(16)15-7-13-21-20(25)18-11-12-19(24)23(18)17-9-3-2-4-10-17/h16-18H,2-15H2,1H3,(H,21,25)
InChIKeyBODBFNCFGIOJDZ-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.69
Rot. Bonds6

About 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3320050) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3320050
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C20H35N3O2/c1-16-8-5-6-14-22(16)15-7-13-21-20(25)18-11-12-19(24)23(18)17-9-3-2-4-10-17/h16-18H,2-15H2,1H3,(H,21,25)
InChIKeyBODBFNCFGIOJDZ-UHFFFAOYSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.69
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 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide (CID 3320050) is 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide is CC1CCCCN1CCCNC(=O)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BODBFNCFGIOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-16-8-5-6-14-22(16)15-7-13-21-20(25)18-11-12-19(24)23(18)17-9-3-2-4-10-17/h16-18H,2-15H2,1H3,(H,21,25).
What are the key properties of 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).