1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

C19H28N4O3 — CID 72844521

IUPAC1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)c(=O)n1
InChIInChI=1S/C19H28N4O3/c1-13-11-14(2)22(19(26)21-13)10-9-20-18(25)15-7-8-17(24)23(12-15)16-5-3-4-6-16/h11,15-16H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyDSMVCHJHHQWQBH-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.16
Rot. Bonds5

About 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72844521) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID72844521
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)c(=O)n1
InChIInChI=1S/C19H28N4O3/c1-13-11-14(2)22(19(26)21-13)10-9-20-18(25)15-7-8-17(24)23(12-15)16-5-3-4-6-16/h11,15-16H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyDSMVCHJHHQWQBH-UHFFFAOYSA-N
XLogP1.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 72844521) is 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)c(=O)n1.
What is the InChIKey of 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DSMVCHJHHQWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-11-14(2)22(19(26)21-13)10-9-20-18(25)15-7-8-17(24)23(12-15)16-5-3-4-6-16/h11,15-16H,3-10,12H2,1-2H3,(H,20,25).
What are the key properties of 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72844521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).