N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C24H37N3O3 — CID 24819226

IUPACN-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCCC2CCCC2)c(C)c1C
InChIInChI=1S/C24H37N3O3/c1-17-18(2)22(30-3)11-10-20(17)16-27-14-13-26-24(29)21(27)15-23(28)25-12-6-9-19-7-4-5-8-19/h10-11,19,21H,4-9,12-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAKBWJFNUZXOTTR-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.09
Rot. Bonds9

About N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24819226) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24819226
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC NameN-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCCC2CCCC2)c(C)c1C
InChIInChI=1S/C24H37N3O3/c1-17-18(2)22(30-3)11-10-20(17)16-27-14-13-26-24(29)21(27)15-23(28)25-12-6-9-19-7-4-5-8-19/h10-11,19,21H,4-9,12-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAKBWJFNUZXOTTR-UHFFFAOYSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24819226) is N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCCCC2CCCC2)c(C)c1C.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is AKBWJFNUZXOTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-17-18(2)22(30-3)11-10-20(17)16-27-14-13-26-24(29)21(27)15-23(28)25-12-6-9-19-7-4-5-8-19/h10-11,19,21H,4-9,12-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 415.58 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24819226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).