3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid

C15H18ClNO4 — CID 63877037

IUPAC3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClNO4/c16-12-3-1-2-11(10-12)15(20)17-7-4-13(5-8-17)21-9-6-14(18)19/h1-3,10,13H,4-9H2,(H,18,19)
InChIKeyHTMCWTKIEHWSTA-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.44
Rot. Bonds5

About 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid

3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63877037) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63877037
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClNO4/c16-12-3-1-2-11(10-12)15(20)17-7-4-13(5-8-17)21-9-6-14(18)19/h1-3,10,13H,4-9H2,(H,18,19)
InChIKeyHTMCWTKIEHWSTA-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-bromobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63871391
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 106683480
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid (CID 63877037) is 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is HTMCWTKIEHWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-12-3-1-2-11(10-12)15(20)17-7-4-13(5-8-17)21-9-6-14(18)19/h1-3,10,13H,4-9H2,(H,18,19).
What are the key properties of 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 311.76 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63877037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).