4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid

C20H27NO3 — CID 22240880

IUPAC4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCCCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C20H27NO3/c22-18(17-9-5-2-6-10-17)21-13-11-20(12-14-21,19(23)24)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,24)
InChIKeyLVWIGGOAUFWOFN-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.50
Rot. Bonds4

About 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid

4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid (PubChem CID 22240880) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
PubChem CID22240880
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCCCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C20H27NO3/c22-18(17-9-5-2-6-10-17)21-13-11-20(12-14-21,19(23)24)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,24)
InChIKeyLVWIGGOAUFWOFN-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mitiglinide
CID 121891
Meperidine acid
CID 101106
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CID 137949073
1-(2-Phenylacetyl)piperidine-4-carboxylic acid
CID 280747
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
CID 2813193
Ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
CID 3047758
6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid
CID 446783
2-[(4-Phenylbutyl)carbamoyl]cyclohexanecarboxylic acid
CID 650565
6-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 2946760
2-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]cyclohexanecarboxylic acid
CID 3241340

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid (CID 22240880) is 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid is O=C(C1CCCCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
The InChIKey is LVWIGGOAUFWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-18(17-9-5-2-6-10-17)21-13-11-20(12-14-21,19(23)24)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,24).
What are the key properties of 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid?
4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22240880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).