N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide

C18H20F2N4O3 — CID 126767619

IUPACN-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccnc1OCC(F)F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H20F2N4O3/c19-16(20)12-27-17-13(4-3-7-21-17)22-18(26)24-10-8-23(9-11-24)14-5-1-2-6-15(14)25/h1-7,16,25H,8-12H2,(H,22,26)
InChIKeyDOZWDXWWWAZJTI-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide

N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 126767619) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID126767619
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC NameN-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccnc1OCC(F)F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H20F2N4O3/c19-16(20)12-27-17-13(4-3-7-21-17)22-18(26)24-10-8-23(9-11-24)14-5-1-2-6-15(14)25/h1-7,16,25H,8-12H2,(H,22,26)
InChIKeyDOZWDXWWWAZJTI-UHFFFAOYSA-N
XLogP2.79
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 136582536
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-(2-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814201
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 65173274
4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 56817760

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 126767619) is N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide is O=C(Nc1cccnc1OCC(F)F)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is DOZWDXWWWAZJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c19-16(20)12-27-17-13(4-3-7-21-17)22-18(26)24-10-8-23(9-11-24)14-5-1-2-6-15(14)25/h1-7,16,25H,8-12H2,(H,22,26).
What are the key properties of N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 126767619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).