(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C17H21N3O — CID 47059580

IUPAC(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-13-11-16(19-18-13)17(21)20-9-7-15(8-10-20)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)
InChIKeyOPKGOBODDZZFPW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.81
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 47059580) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID47059580
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-13-11-16(19-18-13)17(21)20-9-7-15(8-10-20)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19)
InChIKeyOPKGOBODDZZFPW-UHFFFAOYSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 47059580) is (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)n[nH]1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is OPKGOBODDZZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-11-16(19-18-13)17(21)20-9-7-15(8-10-20)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19).
What are the key properties of (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 47059580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).