(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone

C17H21N3O — CID 46419890

IUPAC(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C17H21N3O/c1-13-5-3-4-12-19(13)17(21)15-6-8-16(9-7-15)20-14(2)10-11-18-20/h6-11,13H,3-5,12H2,1-2H3
InChIKeyVIZOYFCYWVUAKA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds2

About (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone

(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 46419890) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
PubChem CID46419890
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C17H21N3O/c1-13-5-3-4-12-19(13)17(21)15-6-8-16(9-7-15)20-14(2)10-11-18-20/h6-11,13H,3-5,12H2,1-2H3
InChIKeyVIZOYFCYWVUAKA-UHFFFAOYSA-N
XLogP3.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 122114234
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 46651476
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8644028
2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17401105

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone (CID 46419890) is (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCCCC2C)cc1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is VIZOYFCYWVUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-5-3-4-12-19(13)17(21)15-6-8-16(9-7-15)20-14(2)10-11-18-20/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone?
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 283.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 46419890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).