1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

C16H18ClNO4 — CID 119251424

IUPAC1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C16H18ClNO4/c17-12-3-1-11(2-4-12)15(5-6-15)13(19)18-9-7-16(22,8-10-18)14(20)21/h1-4,22H,5-10H2,(H,20,21)
InChIKeyJUUKICPEPPVXSU-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.81
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251424) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251424
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C16H18ClNO4/c17-12-3-1-11(2-4-12)15(5-6-15)13(19)18-9-7-16(22,8-10-18)14(20)21/h1-4,22H,5-10H2,(H,20,21)
InChIKeyJUUKICPEPPVXSU-UHFFFAOYSA-N
XLogP1.81
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
(3-tert-butyl-3-hydroxypyrrolidin-1-yl)-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 66661540
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874970
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55521589
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(4-chlorophenyl)cyclopropyl]-(8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 11618178

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251424) is 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is JUUKICPEPPVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c17-12-3-1-11(2-4-12)15(5-6-15)13(19)18-9-7-16(22,8-10-18)14(20)21/h1-4,22H,5-10H2,(H,20,21).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 323.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).