1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid

C16H18ClNO3 — CID 119167682

IUPAC1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H18ClNO3/c17-13-5-1-4-12(9-13)16(6-7-16)15(21)18-8-2-3-11(10-18)14(19)20/h1,4-5,9,11H,2-3,6-8,10H2,(H,19,20)
InChIKeySNVRPHQBVZTFHO-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid

1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 119167682) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
PubChem CID119167682
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H18ClNO3/c17-13-5-1-4-12(9-13)16(6-7-16)15(21)18-8-2-3-11(10-18)14(19)20/h1,4-5,9,11H,2-3,6-8,10H2,(H,19,20)
InChIKeySNVRPHQBVZTFHO-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (CID 119167682) is 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is SNVRPHQBVZTFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c17-13-5-1-4-12(9-13)16(6-7-16)15(21)18-8-2-3-11(10-18)14(19)20/h1,4-5,9,11H,2-3,6-8,10H2,(H,19,20).
What are the key properties of 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 307.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).