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

C21H31N3O3 — CID 24791664

IUPACN-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCC1
InChIInChI=1S/C21H31N3O3/c1-27-19-11-7-6-8-16(19)15-24-13-12-22-21(26)18(24)14-20(25)23-17-9-4-2-3-5-10-17/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyXQMVKJQCHWMJHB-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.22
Rot. Bonds6

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

N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24791664) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24791664
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCC1
InChIInChI=1S/C21H31N3O3/c1-27-19-11-7-6-8-16(19)15-24-13-12-22-21(26)18(24)14-20(25)23-17-9-4-2-3-5-10-17/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyXQMVKJQCHWMJHB-UHFFFAOYSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24791664) is N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is XQMVKJQCHWMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-19-11-7-6-8-16(19)15-24-13-12-22-21(26)18(24)14-20(25)23-17-9-4-2-3-5-10-17/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24791664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).