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

C21H31N3O4 — CID 24793158

IUPACN-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C21H31N3O4/c1-27-17-9-8-15(19(12-17)28-2)14-24-11-10-22-21(26)18(24)13-20(25)23-16-6-4-3-5-7-16/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOMQOGKCWFFZBRA-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.84
Rot. Bonds7

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

N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24793158) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24793158
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C21H31N3O4/c1-27-17-9-8-15(19(12-17)28-2)14-24-11-10-22-21(26)18(24)13-20(25)23-16-6-4-3-5-7-16/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOMQOGKCWFFZBRA-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24793158) is N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is OMQOGKCWFFZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-17-9-8-15(19(12-17)28-2)14-24-11-10-22-21(26)18(24)13-20(25)23-16-6-4-3-5-7-16/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24793158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).