(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid

C19H24FNO3 — CID 92996555

IUPAC(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1cc([C@H]2CC[C@@H](C(=O)O)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C19H24FNO3/c1-12-10-14(6-8-16(12)20)17-9-7-15(19(23)24)11-21(17)18(22)13-4-2-3-5-13/h6,8,10,13,15,17H,2-5,7,9,11H2,1H3,(H,23,24)/t15-,17-/m1/s1
InChIKeyUYHGDIJJRBCYTQ-NVXWUHKLSA-N
MW333.40 g/mol
LogP3.69
Rot. Bonds3

About (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid

(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid (PubChem CID 92996555) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
PubChem CID92996555
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
SMILESCc1cc([C@H]2CC[C@@H](C(=O)O)CN2C(=O)C2CCCC2)ccc1F
InChIInChI=1S/C19H24FNO3/c1-12-10-14(6-8-16(12)20)17-9-7-15(19(23)24)11-21(17)18(22)13-4-2-3-5-13/h6,8,10,13,15,17H,2-5,7,9,11H2,1H3,(H,23,24)/t15-,17-/m1/s1
InChIKeyUYHGDIJJRBCYTQ-NVXWUHKLSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 71955058
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866441
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
2-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetaldehyde
CID 164751514
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468
lithium;1-[2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]ethane-1,2-dione;hydroxide
CID 164751513
(2R,5R)-5-(4-acetylpiperazine-1-carbonyl)-N-butyl-2-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
CID 92997081

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid (CID 92996555) is (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid is Cc1cc([C@H]2CC[C@@H](C(=O)O)CN2C(=O)C2CCCC2)ccc1F.
What is the InChIKey of (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
The InChIKey is UYHGDIJJRBCYTQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-12-10-14(6-8-16(12)20)17-9-7-15(19(23)24)11-21(17)18(22)13-4-2-3-5-13/h6,8,10,13,15,17H,2-5,7,9,11H2,1H3,(H,23,24)/t15-,17-/m1/s1.
What are the key properties of (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid?
(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid has a molecular weight of 333.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 92996555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).