[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone

C19H19F2N3O4 — CID 139011439

IUPAC[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC1
InChIInChI=1S/C19H19F2N3O4/c20-16(21)12-28-17-11-14(5-6-22-17)19(27)24-9-7-23(8-10-24)18(26)13-1-3-15(25)4-2-13/h1-6,11,16,25H,7-10,12H2
InChIKeyKNAPRWCGPKASRN-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.03
Rot. Bonds5

About [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone

[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 139011439) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID139011439
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC1
InChIInChI=1S/C19H19F2N3O4/c20-16(21)12-28-17-11-14(5-6-22-17)19(27)24-9-7-23(8-10-24)18(26)13-1-3-15(25)4-2-13/h1-6,11,16,25H,7-10,12H2
InChIKeyKNAPRWCGPKASRN-UHFFFAOYSA-N
XLogP2.03
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
(4-Methoxyphenyl)(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)methanone hydrochloride
CID 24761156
4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 841534
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CID 3730311
2-[[Acetyl[4-(tetradecyloxy)benzoyl]amino]methyl]-1-methylpyridinium iodide
CID 9851822
4-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(2-methoxyethyl)benzamide hydrochloride
CID 122516346
4-butoxy-N-(2-pyridinylmethyl)benzamide
CID 2231736
(4-Methoxy-phenyl)-(4-pyridin-2-ylmethyl-piperazin-1-yl)-methanone
CID 2871598
1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2921316
(4-Methoxyphenyl)-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3233638

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone (CID 139011439) is [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC1.
What is the InChIKey of [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is KNAPRWCGPKASRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c20-16(21)12-28-17-11-14(5-6-22-17)19(27)24-9-7-23(8-10-24)18(26)13-1-3-15(25)4-2-13/h1-6,11,16,25H,7-10,12H2.
What are the key properties of [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone?
[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 391.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 139011439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).