1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one

C16H23N3O — CID 82256389

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCN2)N1CCNCC1
InChIInChI=1S/C16H23N3O/c1-2-15(19-9-7-17-8-10-19)16(20)13-3-4-14-12(11-13)5-6-18-14/h3-4,11,15,17-18H,2,5-10H2,1H3
InChIKeyBNMOXFNDVBQVDS-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.52
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one

1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one (PubChem CID 82256389) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
PubChem CID82256389
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCN2)N1CCNCC1
InChIInChI=1S/C16H23N3O/c1-2-15(19-9-7-17-8-10-19)16(20)13-3-4-14-12(11-13)5-6-18-14/h3-4,11,15,17-18H,2,5-10H2,1H3
InChIKeyBNMOXFNDVBQVDS-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82256390
1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 82256372
2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82256376
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82257869
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 82102458
2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
CID 82257846
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 82136425
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one (CID 82256389) is 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one is CCC(C(=O)c1ccc2c(c1)CCN2)N1CCNCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one?
The InChIKey is BNMOXFNDVBQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-15(19-9-7-17-8-10-19)16(20)13-3-4-14-12(11-13)5-6-18-14/h3-4,11,15,17-18H,2,5-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82256389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).