1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid

C19H18FNO4 — CID 45341289

IUPAC1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H18FNO4/c20-15-3-7-17(8-4-15)25-16-5-1-13(2-6-16)18(22)21-11-9-14(10-12-21)19(23)24/h1-8,14H,9-12H2,(H,23,24)
InChIKeyMBYFZSRUMRBSFO-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.55
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid

1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 45341289) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID45341289
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H18FNO4/c20-15-3-7-17(8-4-15)25-16-5-1-13(2-6-16)18(22)21-11-9-14(10-12-21)19(23)24/h1-8,14H,9-12H2,(H,23,24)
InChIKeyMBYFZSRUMRBSFO-UHFFFAOYSA-N
XLogP3.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610437
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
1-(4-prop-2-ynoxybenzoyl)piperidine-4-carboxylic acid
CID 119166204
1-[3,5-bis[4-(N'-hydroxycarbamimidoyl)phenoxy]benzoyl]piperidine-4-carboxylic acid
CID 91075205
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
1-[4-(3,4,5-trifluorophenyl)benzoyl]piperidine-4-carboxylic acid
CID 119349636
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid (CID 45341289) is 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is MBYFZSRUMRBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-15-3-7-17(8-4-15)25-16-5-1-13(2-6-16)18(22)21-11-9-14(10-12-21)19(23)24/h1-8,14H,9-12H2,(H,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid?
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 343.35 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 1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45341289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).