(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid

C19H23N3O3 — CID 124576726

IUPAC(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
SMILESCc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)n1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)22(20-13)11-15-5-3-6-16(10-15)18(23)21-8-4-7-17(12-21)19(24)25/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyZXZDWTBNKDRZNG-QGZVFWFLSA-N
MW341.41 g/mol
LogP2.49
Rot. Bonds4

About (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid

(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid (PubChem CID 124576726) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
PubChem CID124576726
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
SMILESCc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)n1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)22(20-13)11-15-5-3-6-16(10-15)18(23)21-8-4-7-17(12-21)19(24)25/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3,(H,24,25)/t17-/m1/s1
InChIKeyZXZDWTBNKDRZNG-QGZVFWFLSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118440
(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 119410639
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119410638
(2S)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-2-carboxylic acid
CID 129382737
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
(4-aminopiperidin-1-yl)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119374195
2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide
CID 131961725
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95155111
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid (CID 124576726) is (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid is Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)n1.
What is the InChIKey of (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is ZXZDWTBNKDRZNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-14(2)22(20-13)11-15-5-3-6-16(10-15)18(23)21-8-4-7-17(12-21)19(24)25/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3,(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).