1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

C19H24ClNO4 — CID 119251972

IUPAC1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C19H24ClNO4/c20-15-6-4-5-14(13-15)18(7-2-1-3-8-18)16(22)21-11-9-19(25,10-12-21)17(23)24/h4-6,13,25H,1-3,7-12H2,(H,23,24)
InChIKeyVKHVTGJFAYOLAC-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.98
Rot. Bonds3

About 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251972) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251972
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C19H24ClNO4/c20-15-6-4-5-14(13-15)18(7-2-1-3-8-18)16(22)21-11-9-19(25,10-12-21)17(23)24/h4-6,13,25H,1-3,7-12H2,(H,23,24)
InChIKeyVKHVTGJFAYOLAC-UHFFFAOYSA-N
XLogP2.98
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256737
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclohexyl]methanone
CID 120804905
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251972) is 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is VKHVTGJFAYOLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4/c20-15-6-4-5-14(13-15)18(7-2-1-3-8-18)16(22)21-11-9-19(25,10-12-21)17(23)24/h4-6,13,25H,1-3,7-12H2,(H,23,24).
What are the key properties of 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 365.86 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).