(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone

C20H21N3O — CID 46341627

IUPAC(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c24-20(17-6-7-18-14-21-22-19(18)13-17)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,21,22)
InChIKeyZRAUMDPTSOKLPP-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.66
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone

(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone (PubChem CID 46341627) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
PubChem CID46341627
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
SMILESO=C(c1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c24-20(17-6-7-18-14-21-22-19(18)13-17)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,21,22)
InChIKeyZRAUMDPTSOKLPP-UHFFFAOYSA-N
XLogP3.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
CID 64604399
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone (CID 46341627) is (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone is O=C(c1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone?
The InChIKey is ZRAUMDPTSOKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(17-6-7-18-14-21-22-19(18)13-17)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,21,22).
What are the key properties of (4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone?
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.66, 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)-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 46341627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).