[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C20H27N3O — CID 70767661

IUPAC[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(c3cccc(C)c3)C2)n(C)n1
InChIInChI=1S/C20H27N3O/c1-4-7-18-13-19(22(3)21-18)20(24)23-11-6-10-17(14-23)16-9-5-8-15(2)12-16/h5,8-9,12-13,17H,4,6-7,10-11,14H2,1-3H3
InChIKeySXZNBOZBJUYLTG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.70
Rot. Bonds4

About [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 70767661) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID70767661
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(c3cccc(C)c3)C2)n(C)n1
InChIInChI=1S/C20H27N3O/c1-4-7-18-13-19(22(3)21-18)20(24)23-11-6-10-17(14-23)16-9-5-8-15(2)12-16/h5,8-9,12-13,17H,4,6-7,10-11,14H2,1-3H3
InChIKeySXZNBOZBJUYLTG-UHFFFAOYSA-N
XLogP3.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 25289927
(3-ethyl-1-methylpyrazol-5-yl)-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 45190133
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
3-[(3S)-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]benzoic acid
CID 97210801
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
(1-methyl-3-propylpyrazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70706570
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 70767661) is [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCCC(c3cccc(C)c3)C2)n(C)n1.
What is the InChIKey of [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is SXZNBOZBJUYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-7-18-13-19(22(3)21-18)20(24)23-11-6-10-17(14-23)16-9-5-8-15(2)12-16/h5,8-9,12-13,17H,4,6-7,10-11,14H2,1-3H3.
What are the key properties of [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 325.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 70767661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).