2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone

C16H22N2O2 — CID 107149625

IUPAC2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNC1COCc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-8-4-1-5-9-18)10-17-15-12-20-11-13-6-2-3-7-14(13)15/h2-3,6-7,15,17H,1,4-5,8-12H2
InChIKeyUSGOJRAUXGFYNP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone

2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone (PubChem CID 107149625) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
PubChem CID107149625
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNC1COCc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-8-4-1-5-9-18)10-17-15-12-20-11-13-6-2-3-7-14(13)15/h2-3,6-7,15,17H,1,4-5,8-12H2
InChIKeyUSGOJRAUXGFYNP-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
CID 107148977
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
CID 114132346
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 167947026
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691
N-(2,2,3,3-tetrafluoropropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 114169070
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone (CID 107149625) is 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone is O=C(CNC1COCc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone?
The InChIKey is USGOJRAUXGFYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-8-4-1-5-9-18)10-17-15-12-20-11-13-6-2-3-7-14(13)15/h2-3,6-7,15,17H,1,4-5,8-12H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone?
2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone has a molecular weight of 274.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 107149625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).