3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one

C17H24N2O2 — CID 107149638

IUPAC3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC1COCc2ccccc21)N1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-17(19-10-4-1-5-11-19)8-9-18-16-13-21-12-14-6-2-3-7-15(14)16/h2-3,6-7,16,18H,1,4-5,8-13H2
InChIKeyDXPWJVYLBXABHE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.25
Rot. Bonds4

About 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one

3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 107149638) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID107149638
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC1COCc2ccccc21)N1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-17(19-10-4-1-5-11-19)8-9-18-16-13-21-12-14-6-2-3-7-15(14)16/h2-3,6-7,16,18H,1,4-5,8-13H2
InChIKeyDXPWJVYLBXABHE-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
CID 107149625
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103846439
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43634310
N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
CID 107148977
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one (CID 107149638) is 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one is O=C(CCNC1COCc2ccccc21)N1CCCCC1.
What is the InChIKey of 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DXPWJVYLBXABHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(19-10-4-1-5-11-19)8-9-18-16-13-21-12-14-6-2-3-7-15(14)16/h2-3,6-7,16,18H,1,4-5,8-13H2.
What are the key properties of 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one?
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 107149638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).