N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide

C14H15ClF3N3O2 — CID 75436709

IUPACN-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide
SMILESO=C1CN(C(=O)NC(CC(F)(F)F)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C14H15ClF3N3O2/c15-10-3-1-9(2-4-10)11(7-14(16,17)18)20-13(23)21-6-5-19-12(22)8-21/h1-4,11H,5-8H2,(H,19,22)(H,20,23)
InChIKeyKZBVJWAZLNTRDE-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide

N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide (PubChem CID 75436709) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide
PubChem CID75436709
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC NameN-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide
SMILESO=C1CN(C(=O)NC(CC(F)(F)F)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C14H15ClF3N3O2/c15-10-3-1-9(2-4-10)11(7-14(16,17)18)20-13(23)21-6-5-19-12(22)8-21/h1-4,11H,5-8H2,(H,19,22)(H,20,23)
InChIKeyKZBVJWAZLNTRDE-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(4-bromophenyl)-1-(4-chlorophenyl)-2-[(3-oxopiperazine-1-carbonyl)amino]ethyl]carbamate
CID 118548239
N-[(3-chloro-2,4-difluorophenyl)-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3-oxopiperazine-1-carboxamide
CID 166110742
N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3-oxopiperazine-1-carboxamide
CID 166110750
N-[(1R,2S)-1,2-bis(4-chlorophenyl)-2-[(2,4-dimethylbenzoyl)amino]ethyl]-3-oxopiperazine-1-carboxamide
CID 67125969
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
tert-butyl N-[(1S,2R)-2-(4-chlorophenyl)-2-[(3-oxopiperazine-1-carbonyl)amino]-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate
CID 118548166
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 139013293
4-[bis(4-chlorophenyl)methyl]piperazin-2-one
CID 68931779
N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 166199965
(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide (CID 75436709) is N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide is O=C1CN(C(=O)NC(CC(F)(F)F)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is KZBVJWAZLNTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c15-10-3-1-9(2-4-10)11(7-14(16,17)18)20-13(23)21-6-5-19-12(22)8-21/h1-4,11H,5-8H2,(H,19,22)(H,20,23).
What are the key properties of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide?
N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 349.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 75436709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).