2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one

C24H34N4O — CID 86581850

IUPAC2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one
SMILESCC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H34N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,17,19,21H,2-4,8-9,11-16,18H2,1H3
InChIKeyRMRGVBIHVKMSLR-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one

2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one (PubChem CID 86581850) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one
PubChem CID86581850
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one
SMILESCC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H34N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,17,19,21H,2-4,8-9,11-16,18H2,1H3
InChIKeyRMRGVBIHVKMSLR-UHFFFAOYSA-N
XLogP3.32
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one (CID 86581850) is 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one is CC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one?
The InChIKey is RMRGVBIHVKMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-19(25-11-13-26(14-12-25)21-8-3-2-4-9-21)24(29)27-15-16-28-22(18-27)17-20-7-5-6-10-23(20)28/h5-7,10,17,19,21H,2-4,8-9,11-16,18H2,1H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one?
2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one has a molecular weight of 394.56 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-one is sourced from PubChem (CID 86581850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).