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

C18H23N3O — CID 110855772

IUPAC(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C18H23N3O/c1-13-14(2)19-20-17(13)18(22)21-10-8-16(9-11-21)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,19,20)
InChIKeyOVMCJBFYCPWZLI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.12
Rot. Bonds3

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

(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone (PubChem CID 110855772) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
PubChem CID110855772
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C18H23N3O/c1-13-14(2)19-20-17(13)18(22)21-10-8-16(9-11-21)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,19,20)
InChIKeyOVMCJBFYCPWZLI-UHFFFAOYSA-N
XLogP3.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918352
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19486314
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
1-(4-benzylpiperidin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17455132
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
CID 100748960

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone (CID 110855772) is (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone is Cc1[nH]nc(C(=O)N2CCC(Cc3ccccc3)CC2)c1C.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is OVMCJBFYCPWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-14(2)19-20-17(13)18(22)21-10-8-16(9-11-21)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,19,20).
What are the key properties of (4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.12, 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)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110855772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).