(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid

C14H17NO3 — CID 42257324

IUPAC(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H17NO3/c1-10-4-2-5-11(8-10)13(16)15-7-3-6-12(9-15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyVHZKZWLSVHAKOZ-GFCCVEGCSA-N
MW247.29 g/mol
LogP1.93
Rot. Bonds2

About (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid

(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 42257324) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
PubChem CID42257324
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H17NO3/c1-10-4-2-5-11(8-10)13(16)15-7-3-6-12(9-15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyVHZKZWLSVHAKOZ-GFCCVEGCSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid (CID 42257324) is (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid is Cc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is VHZKZWLSVHAKOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-2-5-11(8-10)13(16)15-7-3-6-12(9-15)14(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid?
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 42257324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).