1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid

C17H20FNO3 — CID 154746801

IUPAC1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccc(F)cc1)C1CCCN(CC2(C(=O)O)CC2)C1
InChIInChI=1S/C17H20FNO3/c18-14-5-3-12(4-6-14)15(20)13-2-1-9-19(10-13)11-17(7-8-17)16(21)22/h3-6,13H,1-2,7-11H2,(H,21,22)
InChIKeyPOEVJWWZIPGUDS-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.59
Rot. Bonds5

About 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid

1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 154746801) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID154746801
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccc(F)cc1)C1CCCN(CC2(C(=O)O)CC2)C1
InChIInChI=1S/C17H20FNO3/c18-14-5-3-12(4-6-14)15(20)13-2-1-9-19(10-13)11-17(7-8-17)16(21)22/h3-6,13H,1-2,7-11H2,(H,21,22)
InChIKeyPOEVJWWZIPGUDS-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
CID 100637681
[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 120934454
(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
CID 97074751
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 154746801) is 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid is O=C(c1ccc(F)cc1)C1CCCN(CC2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is POEVJWWZIPGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-14-5-3-12(4-6-14)15(20)13-2-1-9-19(10-13)11-17(7-8-17)16(21)22/h3-6,13H,1-2,7-11H2,(H,21,22).
What are the key properties of 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154746801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).