N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide

C14H17F2N3O3 — CID 132965547

IUPACN-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)F)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H17F2N3O3/c15-12(16)9-17-14(22)19-7-5-18(6-8-19)13(21)10-3-1-2-4-11(10)20/h1-4,12,20H,5-9H2,(H,17,22)
InChIKeyKPMRUFXZYQQHPT-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.12
Rot. Bonds3

About N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide

N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide (PubChem CID 132965547) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
PubChem CID132965547
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC NameN-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)F)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H17F2N3O3/c15-12(16)9-17-14(22)19-7-5-18(6-8-19)13(21)10-3-1-2-4-11(10)20/h1-4,12,20H,5-9H2,(H,17,22)
InChIKeyKPMRUFXZYQQHPT-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 71889407
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78892976
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide (CID 132965547) is N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide is O=C(NCC(F)F)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The InChIKey is KPMRUFXZYQQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c15-12(16)9-17-14(22)19-7-5-18(6-8-19)13(21)10-3-1-2-4-11(10)20/h1-4,12,20H,5-9H2,(H,17,22).
What are the key properties of N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide has a molecular weight of 313.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 132965547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).