[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

C20H26N4O2 — CID 166249113

IUPAC[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)C3CCc4[nH]ncc4C3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-26-18-4-2-3-15(11-18)14-23-7-9-24(10-8-23)20(25)16-5-6-19-17(12-16)13-21-22-19/h2-4,11,13,16H,5-10,12,14H2,1H3,(H,21,22)
InChIKeyMJKWBHGFUSMKED-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.87
Rot. Bonds4

About [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (PubChem CID 166249113) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
PubChem CID166249113
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)C3CCc4[nH]ncc4C3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-26-18-4-2-3-15(11-18)14-23-7-9-24(10-8-23)20(25)16-5-6-19-17(12-16)13-21-22-19/h2-4,11,13,16H,5-10,12,14H2,1H3,(H,21,22)
InChIKeyMJKWBHGFUSMKED-UHFFFAOYSA-N
XLogP1.87
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 165422363
azepan-1-yl-[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110082926
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
(1S,2S,3R,4S)-3-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98150026
(4R)-1-[(3-methoxyphenyl)methyl]-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017912
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
cyclopropyl-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110358229

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (CID 166249113) is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.
What is the SMILES notation for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The canonical SMILES for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is COc1cccc(CN2CCN(C(=O)C3CCc4[nH]ncc4C3)CC2)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The InChIKey is MJKWBHGFUSMKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-4-2-3-15(11-18)14-23-7-9-24(10-8-23)20(25)16-5-6-19-17(12-16)13-21-22-19/h2-4,11,13,16H,5-10,12,14H2,1H3,(H,21,22).
What are the key properties of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is sourced from PubChem (CID 166249113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).