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

C20H26N4O2 — CID 110631994

IUPAC[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCOc1cccc(C2CN(C(=O)c3n[nH]c4c3CCCC4)CCN2C)c1
InChIInChI=1S/C20H26N4O2/c1-23-10-11-24(13-18(23)14-6-5-7-15(12-14)26-2)20(25)19-16-8-3-4-9-17(16)21-22-19/h5-7,12,18H,3-4,8-11,13H2,1-2H3,(H,21,22)
InChIKeyQOLQADGZIHCTCT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds3

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

[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 110631994) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID110631994
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCOc1cccc(C2CN(C(=O)c3n[nH]c4c3CCCC4)CCN2C)c1
InChIInChI=1S/C20H26N4O2/c1-23-10-11-24(13-18(23)14-6-5-7-15(12-14)26-2)20(25)19-16-8-3-4-9-17(16)21-22-19/h5-7,12,18H,3-4,8-11,13H2,1-2H3,(H,21,22)
InChIKeyQOLQADGZIHCTCT-UHFFFAOYSA-N
XLogP2.43
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 51492761
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 74232527
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354832
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72929646

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 110631994) is [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is COc1cccc(C2CN(C(=O)c3n[nH]c4c3CCCC4)CCN2C)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is QOLQADGZIHCTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-10-11-24(13-18(23)14-6-5-7-15(12-14)26-2)20(25)19-16-8-3-4-9-17(16)21-22-19/h5-7,12,18H,3-4,8-11,13H2,1-2H3,(H,21,22).
What are the key properties of [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 110631994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).