3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone

C15H19NO2 — CID 110693318

IUPAC3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCCCC1
InChIInChI=1S/C15H19NO2/c17-15(16-8-2-1-3-9-16)13-6-7-14-12(11-13)5-4-10-18-14/h6-7,11H,1-5,8-10H2
InChIKeyRERIMWPJNJRLHD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.64
Rot. Bonds1

About 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone

3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone (PubChem CID 110693318) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
PubChem CID110693318
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCCCC1
InChIInChI=1S/C15H19NO2/c17-15(16-8-2-1-3-9-16)13-6-7-14-12(11-13)5-4-10-18-14/h6-7,11H,1-5,8-10H2
InChIKeyRERIMWPJNJRLHD-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
4-(3,4-dihydro-2H-chromene-6-carbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813648
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
3,7-bis(3,4-dihydro-2H-chromene-6-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142768959
2,3-dihydro-1-benzofuran-5-yl-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816782
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
3,4-dihydro-2H-chromen-6-yl-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 119066265

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone (CID 110693318) is 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone is O=C(c1ccc2c(c1)CCCO2)N1CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone?
The InChIKey is RERIMWPJNJRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(16-8-2-1-3-9-16)13-6-7-14-12(11-13)5-4-10-18-14/h6-7,11H,1-5,8-10H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone?
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 110693318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).