N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C22H32FN3O2 — CID 24817648

IUPACN-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCN(CCCC1CCCC1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H32FN3O2/c1-25(13-4-7-17-5-2-3-6-17)21(27)15-20-22(28)24-12-14-26(20)16-18-8-10-19(23)11-9-18/h8-11,17,20H,2-7,12-16H2,1H3,(H,24,28)
InChIKeyJXINYCRLZNXPDT-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.94
Rot. Bonds8

About N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 24817648) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID24817648
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCN(CCCC1CCCC1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C22H32FN3O2/c1-25(13-4-7-17-5-2-3-6-17)21(27)15-20-22(28)24-12-14-26(20)16-18-8-10-19(23)11-9-18/h8-11,17,20H,2-7,12-16H2,1H3,(H,24,28)
InChIKeyJXINYCRLZNXPDT-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 24817648) is N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CN(CCCC1CCCC1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is JXINYCRLZNXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-25(13-4-7-17-5-2-3-6-17)21(27)15-20-22(28)24-12-14-26(20)16-18-8-10-19(23)11-9-18/h8-11,17,20H,2-7,12-16H2,1H3,(H,24,28).
What are the key properties of N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 389.52 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 24817648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).