N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C19H26FN3O2 — CID 24791963

IUPACN-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-15-6-4-5-14(11-15)13-23-10-9-21-19(25)17(23)12-18(24)22-16-7-2-1-3-8-16/h4-6,11,16-17H,1-3,7-10,12-13H2,(H,21,25)(H,22,24)
InChIKeyOXVATOFWRAEACN-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.97
Rot. Bonds5

About N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24791963) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24791963
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-15-6-4-5-14(11-15)13-23-10-9-21-19(25)17(23)12-18(24)22-16-7-2-1-3-8-16/h4-6,11,16-17H,1-3,7-10,12-13H2,(H,21,25)(H,22,24)
InChIKeyOXVATOFWRAEACN-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24791963) is N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is OXVATOFWRAEACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-15-6-4-5-14(11-15)13-23-10-9-21-19(25)17(23)12-18(24)22-16-7-2-1-3-8-16/h4-6,11,16-17H,1-3,7-10,12-13H2,(H,21,25)(H,22,24).
What are the key properties of N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24791963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).