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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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).