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

C19H27N3O4 — CID 24791723

IUPACN-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cc(CN2CCNC(=O)C2CC(=O)NC2CCC2)cc(OC)c1
InChIInChI=1S/C19H27N3O4/c1-25-15-8-13(9-16(10-15)26-2)12-22-7-6-20-19(24)17(22)11-18(23)21-14-4-3-5-14/h8-10,14,17H,3-7,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDRFKXXOHPVXGOH-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.06
Rot. Bonds7

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

N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24791723) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24791723
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cc(CN2CCNC(=O)C2CC(=O)NC2CCC2)cc(OC)c1
InChIInChI=1S/C19H27N3O4/c1-25-15-8-13(9-16(10-15)26-2)12-22-7-6-20-19(24)17(22)11-18(23)21-14-4-3-5-14/h8-10,14,17H,3-7,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDRFKXXOHPVXGOH-UHFFFAOYSA-N
XLogP1.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24791723) is N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1cc(CN2CCNC(=O)C2CC(=O)NC2CCC2)cc(OC)c1.
What is the InChIKey of N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is DRFKXXOHPVXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-15-8-13(9-16(10-15)26-2)12-22-7-6-20-19(24)17(22)11-18(23)21-14-4-3-5-14/h8-10,14,17H,3-7,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24791723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).