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

C19H34N4O2 — CID 3244366

IUPAC1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCC3)C2)CC1
InChIInChI=1S/C19H34N4O2/c1-21-10-12-22(13-11-21)9-5-8-20-19(25)16-14-18(24)23(15-16)17-6-3-2-4-7-17/h16-17H,2-15H2,1H3,(H,20,25)
InChIKeyUGYNRDGSVLZDRV-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.92
Rot. Bonds6

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

1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3244366) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3244366
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCC3)C2)CC1
InChIInChI=1S/C19H34N4O2/c1-21-10-12-22(13-11-21)9-5-8-20-19(25)16-14-18(24)23(15-16)17-6-3-2-4-7-17/h16-17H,2-15H2,1H3,(H,20,25)
InChIKeyUGYNRDGSVLZDRV-UHFFFAOYSA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 3244366) is 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is CN1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCC3)C2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UGYNRDGSVLZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-21-10-12-22(13-11-21)9-5-8-20-19(25)16-14-18(24)23(15-16)17-6-3-2-4-7-17/h16-17H,2-15H2,1H3,(H,20,25).
What are the key properties of 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3244366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).