1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one

C21H30N4O — CID 91807907

IUPAC1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
SMILESCc1cc(CCC(=O)N2CCN(C3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C21H30N4O/c1-16-13-17(14-18-15-22-23-21(16)18)7-8-20(26)25-11-9-24(10-12-25)19-5-3-2-4-6-19/h13-15,19H,2-12H2,1H3,(H,22,23)
InChIKeyMMLHNDFGUFIXBW-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one

1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one (PubChem CID 91807907) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
PubChem CID91807907
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
SMILESCc1cc(CCC(=O)N2CCN(C3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C21H30N4O/c1-16-13-17(14-18-15-22-23-21(16)18)7-8-20(26)25-11-9-24(10-12-25)19-5-3-2-4-6-19/h13-15,19H,2-12H2,1H3,(H,22,23)
InChIKeyMMLHNDFGUFIXBW-UHFFFAOYSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
tert-butyl N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175525691
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 83278597
1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
2-amino-3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(1-propylimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 129095366
2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one
CID 69104765
[3-[1-[(3S)-3-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl tetradecanoate
CID 163875870
2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 146439707
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
CID 18452009

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one (CID 91807907) is 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one is Cc1cc(CCC(=O)N2CCN(C3CCCCC3)CC2)cc2cn[nH]c12.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one?
The InChIKey is MMLHNDFGUFIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-16-13-17(14-18-15-22-23-21(16)18)7-8-20(26)25-11-9-24(10-12-25)19-5-3-2-4-6-19/h13-15,19H,2-12H2,1H3,(H,22,23).
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one?
1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one has a molecular weight of 354.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one is sourced from PubChem (CID 91807907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).