4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide

C21H38N4O2 — CID 42843501

IUPAC4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C21H38N4O2/c1-16(2)22-21(27)24-14-12-23(13-15-24)19(18-9-4-5-10-18)20(26)25-11-7-6-8-17(25)3/h16-19H,4-15H2,1-3H3,(H,22,27)
InChIKeyJDMZIOWFKXEJTP-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.68
Rot. Bonds4

About 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 42843501) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID42843501
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1
InChIInChI=1S/C21H38N4O2/c1-16(2)22-21(27)24-14-12-23(13-15-24)19(18-9-4-5-10-18)20(26)25-11-7-6-8-17(25)3/h16-19H,4-15H2,1-3H3,(H,22,27)
InChIKeyJDMZIOWFKXEJTP-UHFFFAOYSA-N
XLogP2.68
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 42843501) is 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(C(=O)N2CCCCC2C)C2CCCC2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JDMZIOWFKXEJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-16(2)22-21(27)24-14-12-23(13-15-24)19(18-9-4-5-10-18)20(26)25-11-7-6-8-17(25)3/h16-19H,4-15H2,1-3H3,(H,22,27).
What are the key properties of 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 42843501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).