[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone

C19H21FN2O2 — CID 3488973

IUPAC[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-24-18-4-2-3-14(13-18)19(23)22-11-9-17(10-12-22)21-16-7-5-15(20)6-8-16/h2-8,13,17,21H,9-12H2,1H3
InChIKeyVXWZLHMOLHYSET-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.55
Rot. Bonds4

About [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 3488973) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID3488973
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-24-18-4-2-3-14(13-18)19(23)22-11-9-17(10-12-22)21-16-7-5-15(20)6-8-16/h2-8,13,17,21H,9-12H2,1H3
InChIKeyVXWZLHMOLHYSET-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
CID 100616310
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
[4-(4-bromoanilino)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;oxalic acid
CID 163327888
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
[3-(4-fluoroanilino)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 24817113
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 3488973) is [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is VXWZLHMOLHYSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-18-4-2-3-14(13-18)19(23)22-11-9-17(10-12-22)21-16-7-5-15(20)6-8-16/h2-8,13,17,21H,9-12H2,1H3.
What are the key properties of [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 3488973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).