N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C21H31N3O2 — CID 24790578

IUPACN-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16-8-10-17(11-9-16)15-24-13-12-22-21(26)19(24)14-20(25)23-18-6-4-2-3-5-7-18/h8-11,18-19H,2-7,12-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyRHEAUOLKESHCOM-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.52
Rot. Bonds5

About N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24790578) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24790578
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16-8-10-17(11-9-16)15-24-13-12-22-21(26)19(24)14-20(25)23-18-6-4-2-3-5-7-18/h8-11,18-19H,2-7,12-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyRHEAUOLKESHCOM-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24790578) is N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is Cc1ccc(CN2CCNC(=O)C2CC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is RHEAUOLKESHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-8-10-17(11-9-16)15-24-13-12-22-21(26)19(24)14-20(25)23-18-6-4-2-3-5-7-18/h8-11,18-19H,2-7,12-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24790578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).