N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C20H29N3O4 — CID 24793150

IUPACN-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C20H29N3O4/c1-26-17-8-7-14(11-18(17)27-2)13-23-10-9-21-20(25)16(23)12-19(24)22-15-5-3-4-6-15/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyWDWMRUREGOTZBW-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.45
Rot. Bonds7

About N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24793150) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24793150
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C20H29N3O4/c1-26-17-8-7-14(11-18(17)27-2)13-23-10-9-21-20(25)16(23)12-19(24)22-15-5-3-4-6-15/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyWDWMRUREGOTZBW-UHFFFAOYSA-N
XLogP1.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24793150) is N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is WDWMRUREGOTZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-17-8-7-14(11-18(17)27-2)13-23-10-9-21-20(25)16(23)12-19(24)22-15-5-3-4-6-15/h7-8,11,15-16H,3-6,9-10,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24793150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).