3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one

C17H23BrN2O — CID 103846439

IUPAC3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC1CCc2c(Br)cccc21)N1CCCCC1
InChIInChI=1S/C17H23BrN2O/c18-15-6-4-5-14-13(15)7-8-16(14)19-10-9-17(21)20-11-2-1-3-12-20/h4-6,16,19H,1-3,7-12H2
InChIKeyQCDAQISAYNRRIP-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.43
Rot. Bonds4

About 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 103846439) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID103846439
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC1CCc2c(Br)cccc21)N1CCCCC1
InChIInChI=1S/C17H23BrN2O/c18-15-6-4-5-14-13(15)7-8-16(14)19-10-9-17(21)20-11-2-1-3-12-20/h4-6,16,19H,1-3,7-12H2
InChIKeyQCDAQISAYNRRIP-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 103910257
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113374920
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 103846439) is 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNC1CCc2c(Br)cccc21)N1CCCCC1.
What is the InChIKey of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is QCDAQISAYNRRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-15-6-4-5-14-13(15)7-8-16(14)19-10-9-17(21)20-11-2-1-3-12-20/h4-6,16,19H,1-3,7-12H2.
What are the key properties of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 351.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 103846439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).