N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide

C17H22FN3O2 — CID 110428510

IUPACN-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)NC2CCCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c18-13-8-6-12(7-9-13)15-16(22)19-10-11-21(15)17(23)20-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2,(H,19,22)(H,20,23)
InChIKeyNFANYQBECPWARH-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.34
Rot. Bonds2

About N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide

N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 110428510) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
PubChem CID110428510
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
SMILESO=C1NCCN(C(=O)NC2CCCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c18-13-8-6-12(7-9-13)15-16(22)19-10-11-21(15)17(23)20-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2,(H,19,22)(H,20,23)
InChIKeyNFANYQBECPWARH-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 128696475
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
CID 122556834
(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
CID 126429449
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
N-cyclopentyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964517
(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 95046023
N-cyclohexyl-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20876900
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide (CID 110428510) is N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide is O=C1NCCN(C(=O)NC2CCCCC2)C1c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is NFANYQBECPWARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-8-6-12(7-9-13)15-16(22)19-10-11-21(15)17(23)20-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2,(H,19,22)(H,20,23).
What are the key properties of N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide?
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 110428510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).