3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one

C20H30N2O — CID 110408400

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H30N2O/c1-15(2)19(14-20(23)22-11-9-21(3)10-12-22)18-8-7-16-5-4-6-17(16)13-18/h7-8,13,15,19H,4-6,9-12,14H2,1-3H3
InChIKeyYBHUUTNGHAHBBH-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one

3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one (PubChem CID 110408400) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
PubChem CID110408400
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H30N2O/c1-15(2)19(14-20(23)22-11-9-21(3)10-12-22)18-8-7-16-5-4-6-17(16)13-18/h7-8,13,15,19H,4-6,9-12,14H2,1-3H3
InChIKeyYBHUUTNGHAHBBH-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one with MolForge

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Related Compounds

3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110355527
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
1-(4-methylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 110673901
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
3-(4-aminophenyl)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 104502086
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethylpiperazin-1-yl)-4-methylpentan-1-one
CID 110374420
(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 906626
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one (CID 110408400) is 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one is CC(C)C(CC(=O)N1CCN(C)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
The InChIKey is YBHUUTNGHAHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15(2)19(14-20(23)22-11-9-21(3)10-12-22)18-8-7-16-5-4-6-17(16)13-18/h7-8,13,15,19H,4-6,9-12,14H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one?
3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 110408400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).