(4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone

C17H21N3O — CID 6468689

IUPAC(4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c1-19-16(7-10-18-19)17(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyFZMXNJRTMZKPSO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.52
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone

(4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 6468689) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID6468689
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c1-19-16(7-10-18-19)17(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyFZMXNJRTMZKPSO-UHFFFAOYSA-N
XLogP2.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone (CID 6468689) is (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is FZMXNJRTMZKPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-16(7-10-18-19)17(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 6468689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).