[4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C16H25N3O2 — CID 53150910

IUPAC[4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCOCCC1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C16H25N3O2/c1-21-11-8-12-6-9-19(10-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h12H,2-11H2,1H3,(H,17,18)
InChIKeyMWEICAOPUJVEPO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.18
Rot. Bonds4

About [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 53150910) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID53150910
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCOCCC1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C16H25N3O2/c1-21-11-8-12-6-9-19(10-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h12H,2-11H2,1H3,(H,17,18)
InChIKeyMWEICAOPUJVEPO-UHFFFAOYSA-N
XLogP2.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
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
8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
(3S*,5R*)-5-(1-pyrrolidinylcarbonyl)-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-3-piperidinecarboxylic acid
CID 56897101
[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 71924834
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
(4-Methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97367677
2,5-Dihydropyrrol-1-yl-[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388940

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 53150910) is [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is COCCC1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is MWEICAOPUJVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-11-8-12-6-9-19(10-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 53150910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).