N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C23H35N3O4 — CID 24792952

IUPACN-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cc(CN2CCNC(=O)C2CC(=O)NCCCC2CCCC2)cc(OC)c1
InChIInChI=1S/C23H35N3O4/c1-29-19-12-18(13-20(14-19)30-2)16-26-11-10-25-23(28)21(26)15-22(27)24-9-5-8-17-6-3-4-7-17/h12-14,17,21H,3-11,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHRNOGTRVEAYMRB-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.48
Rot. Bonds10

About N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24792952) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24792952
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC NameN-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cc(CN2CCNC(=O)C2CC(=O)NCCCC2CCCC2)cc(OC)c1
InChIInChI=1S/C23H35N3O4/c1-29-19-12-18(13-20(14-19)30-2)16-26-11-10-25-23(28)21(26)15-22(27)24-9-5-8-17-6-3-4-7-17/h12-14,17,21H,3-11,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHRNOGTRVEAYMRB-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24792952) is N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1cc(CN2CCNC(=O)C2CC(=O)NCCCC2CCCC2)cc(OC)c1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is HRNOGTRVEAYMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-29-19-12-18(13-20(14-19)30-2)16-26-11-10-25-23(28)21(26)15-22(27)24-9-5-8-17-6-3-4-7-17/h12-14,17,21H,3-11,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24792952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).