4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one

C24H38N4O — CID 71148343

IUPAC4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC(CCN2CCN(c3cccc4c3CCC4)CC2)CC1
InChIInChI=1S/C24H38N4O/c25-12-3-8-24(29)28-14-10-20(11-15-28)9-13-26-16-18-27(19-17-26)23-7-2-5-21-4-1-6-22(21)23/h2,5,7,20H,1,3-4,6,8-19,25H2
InChIKeyDYIGOYAMCQGBPP-UHFFFAOYSA-N
MW398.60 g/mol
LogP2.66
Rot. Bonds7

About 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one

4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one (PubChem CID 71148343) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one
PubChem CID71148343
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC(CCN2CCN(c3cccc4c3CCC4)CC2)CC1
InChIInChI=1S/C24H38N4O/c25-12-3-8-24(29)28-14-10-20(11-15-28)9-13-26-16-18-27(19-17-26)23-7-2-5-21-4-1-6-22(21)23/h2,5,7,20H,1,3-4,6,8-19,25H2
InChIKeyDYIGOYAMCQGBPP-UHFFFAOYSA-N
XLogP2.66
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]propane-1,2-dione;hydrochloride
CID 158819563
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298
1-isoindol-2-yl-6-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]hexan-1-one
CID 11704656
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
1-(2,3-dihydro-1H-inden-4-yl)-4-methylpiperazine
CID 59726261
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butyl]benzamide
CID 44532569
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 22029307
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one (CID 71148343) is 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one is NCCCC(=O)N1CCC(CCN2CCN(c3cccc4c3CCC4)CC2)CC1.
What is the InChIKey of 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one?
The InChIKey is DYIGOYAMCQGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c25-12-3-8-24(29)28-14-10-20(11-15-28)9-13-26-16-18-27(19-17-26)23-7-2-5-21-4-1-6-22(21)23/h2,5,7,20H,1,3-4,6,8-19,25H2.
What are the key properties of 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one?
4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one has a molecular weight of 398.60 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 71148343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).