(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

C18H23N3O — CID 110685777

IUPAC(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1C
InChIInChI=1S/C18H23N3O/c1-14-12-17(19-20(14)2)18(22)21-10-8-16(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyCNCWTFYYAXECKC-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.82
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 110685777) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID110685777
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1C
InChIInChI=1S/C18H23N3O/c1-14-12-17(19-20(14)2)18(22)21-10-8-16(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyCNCWTFYYAXECKC-UHFFFAOYSA-N
XLogP2.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
CID 169284619
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(4-benzylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110695390
[4-(2-bromoethoxy)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 114219198
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone (CID 110685777) is (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1C.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is CNCWTFYYAXECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-12-17(19-20(14)2)18(22)21-10-8-16(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.82, 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)-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 110685777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).