1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

C16H17Cl2NO4 — CID 119251874

IUPAC1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CC1c1ccc(Cl)c(Cl)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17Cl2NO4/c17-12-2-1-9(7-13(12)18)10-8-11(10)14(20)19-5-3-16(23,4-6-19)15(21)22/h1-2,7,10-11,23H,3-6,8H2,(H,21,22)
InChIKeyIOOZXXLVRCUNKA-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.54
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251874) has the molecular formula C16H17Cl2NO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251874
Molecular FormulaC16H17Cl2NO4
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Name1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CC1c1ccc(Cl)c(Cl)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17Cl2NO4/c17-12-2-1-9(7-13(12)18)10-8-11(10)14(20)19-5-3-16(23,4-6-19)15(21)22/h1-2,7,10-11,23H,3-6,8H2,(H,21,22)
InChIKeyIOOZXXLVRCUNKA-UHFFFAOYSA-N
XLogP2.54
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 129467345
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120806325
(3S,4S)-1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951480
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120747860
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251379
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
CID 75437645
1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 97012183
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251874) is 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(C1CC1c1ccc(Cl)c(Cl)c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is IOOZXXLVRCUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4/c17-12-2-1-9(7-13(12)18)10-8-11(10)14(20)19-5-3-16(23,4-6-19)15(21)22/h1-2,7,10-11,23H,3-6,8H2,(H,21,22).
What are the key properties of 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 358.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).