[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C20H28N2O3 — CID 95725078

IUPAC[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCc2ccccc2O1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C20H28N2O3/c23-17-9-13-21(14-10-17)16-7-11-22(12-8-16)20(24)19-6-5-15-3-1-2-4-18(15)25-19/h1-4,16-17,19,23H,5-14H2/t19-/m0/s1
InChIKeyKTEANDVQYGJMGA-IBGZPJMESA-N
MW344.46 g/mol
LogP1.83
Rot. Bonds2

About [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 95725078) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID95725078
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCc2ccccc2O1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C20H28N2O3/c23-17-9-13-21(14-10-17)16-7-11-22(12-8-16)20(24)19-6-5-15-3-1-2-4-18(15)25-19/h1-4,16-17,19,23H,5-14H2/t19-/m0/s1
InChIKeyKTEANDVQYGJMGA-IBGZPJMESA-N
XLogP1.83
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900108
3,4-dihydro-2H-chromen-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346744
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97437981
2,3-dihydro-1-benzofuran-2-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996147
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72847937
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
CID 121190211
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
3,4-dihydro-2H-chromen-2-yl-[4-[4-(4-methylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]methanone
CID 146074949
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methanone
CID 126911894
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480

Frequently Asked Questions

What is the IUPAC name of [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 95725078) is [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is O=C([C@@H]1CCc2ccccc2O1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is KTEANDVQYGJMGA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N2O3/c23-17-9-13-21(14-10-17)16-7-11-22(12-8-16)20(24)19-6-5-15-3-1-2-4-18(15)25-19/h1-4,16-17,19,23H,5-14H2/t19-/m0/s1.
What are the key properties of [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95725078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).