N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide

C18H31N3O2 — CID 42287624

IUPACN-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1)C1CCCCC1
InChIInChI=1S/C18H31N3O2/c1-20(14-7-3-2-4-8-14)17(22)13-16-18(23)19-11-12-21(16)15-9-5-6-10-15/h14-16H,2-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyBJXFWLZKMCXLRX-MRXNPFEDSA-N
MW321.47 g/mol
LogP1.91
Rot. Bonds4

About N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide

N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 42287624) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID42287624
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1)C1CCCCC1
InChIInChI=1S/C18H31N3O2/c1-20(14-7-3-2-4-8-14)17(22)13-16-18(23)19-11-12-21(16)15-9-5-6-10-15/h14-16H,2-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyBJXFWLZKMCXLRX-MRXNPFEDSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide (CID 42287624) is N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide is CN(C(=O)C[C@@H]1C(=O)NCCN1C1CCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is BJXFWLZKMCXLRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-20(14-7-3-2-4-8-14)17(22)13-16-18(23)19-11-12-21(16)15-9-5-6-10-15/h14-16H,2-13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide?
N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 321.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 42287624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).