(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C17H18FN3O2 — CID 38029328

IUPAC(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H18FN3O2/c1-23-16-3-2-13(18)12-15(16)17(22)21-10-8-20(9-11-21)14-4-6-19-7-5-14/h2-7,12H,8-11H2,1H3
InChIKeyDYOOKUXZHBDNFG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.19
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 38029328) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID38029328
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H18FN3O2/c1-23-16-3-2-13(18)12-15(16)17(22)21-10-8-20(9-11-21)14-4-6-19-7-5-14/h2-7,12H,8-11H2,1H3
InChIKeyDYOOKUXZHBDNFG-UHFFFAOYSA-N
XLogP2.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148628
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 38029328) is (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is COc1ccc(F)cc1C(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is DYOOKUXZHBDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-16-3-2-13(18)12-15(16)17(22)21-10-8-20(9-11-21)14-4-6-19-7-5-14/h2-7,12H,8-11H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 315.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 38029328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).