4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one

C18H18FN5O2 — CID 142722522

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1ccco1
InChIInChI=1S/C18H18FN5O2/c19-14-3-5-15(6-4-14)22-7-9-23(10-8-22)17-20-13-24(18(25)21-17)12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2
InChIKeyDDCFDVPRAJZGLN-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.75
Rot. Bonds4

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one

4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one (PubChem CID 142722522) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
PubChem CID142722522
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
SMILESO=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1ccco1
InChIInChI=1S/C18H18FN5O2/c19-14-3-5-15(6-4-14)22-7-9-23(10-8-22)17-20-13-24(18(25)21-17)12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2
InChIKeyDDCFDVPRAJZGLN-UHFFFAOYSA-N
XLogP1.75
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-fluorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]-1,3,5-triazin-2-one
CID 71767612
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
CID 57103122
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-7-prop-2-enylpurine-2,6-dione
CID 46061012
1-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3210085
1-(4-fluorophenyl)-4-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 1447272
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
1-(4-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 1447118
7-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-1-(furan-2-ylmethyl)purine-2,6-dione
CID 46061787
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one (CID 142722522) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one is O=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1ccco1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
The InChIKey is DDCFDVPRAJZGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-14-3-5-15(6-4-14)22-7-9-23(10-8-22)17-20-13-24(18(25)21-17)12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one has a molecular weight of 355.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 142722522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).