piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C13H19N3O — CID 53017445

IUPACpiperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCCC1
InChIInChI=1S/C13H19N3O/c17-13(16-8-4-1-5-9-16)12-10-6-2-3-7-11(10)14-15-12/h1-9H2,(H,14,15)
InChIKeyPTBKRSRVTMIRJD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds1

About piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 53017445) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID53017445
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Namepiperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCCC1
InChIInChI=1S/C13H19N3O/c17-13(16-8-4-1-5-9-16)12-10-6-2-3-7-11(10)14-15-12/h1-9H2,(H,14,15)
InChIKeyPTBKRSRVTMIRJD-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2202791
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 820033
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 25161455
5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161459
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
2,2,6,6-tetramethyl-4-(2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazono)piperidinium
CID 801131
5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161456
N-(cyclopropylmethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161457
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161458
5-(2-methylbutan-2-yl)-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163410

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 53017445) is piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is PTBKRSRVTMIRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(16-8-4-1-5-9-16)12-10-6-2-3-7-11(10)14-15-12/h1-9H2,(H,14,15).
What are the key properties of piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 53017445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).