1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide

C20H35N3O2 — CID 3320047

IUPAC1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CCC(=O)N2C2CCCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-16-10-14-22(15-11-16)13-5-12-21-20(25)18-8-9-19(24)23(18)17-6-3-2-4-7-17/h16-18H,2-15H2,1H3,(H,21,25)
InChIKeyFCWXIVKQLRMBBG-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.55
Rot. Bonds6

About 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3320047) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3320047
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CCC(=O)N2C2CCCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-16-10-14-22(15-11-16)13-5-12-21-20(25)18-8-9-19(24)23(18)17-6-3-2-4-7-17/h16-18H,2-15H2,1H3,(H,21,25)
InChIKeyFCWXIVKQLRMBBG-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide (CID 3320047) is 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide is CC1CCN(CCCNC(=O)C2CCC(=O)N2C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FCWXIVKQLRMBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-16-10-14-22(15-11-16)13-5-12-21-20(25)18-8-9-19(24)23(18)17-6-3-2-4-7-17/h16-18H,2-15H2,1H3,(H,21,25).
What are the key properties of 1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 2.55, 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-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3320047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).