3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one

C15H19NO2 — CID 114451510

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
SMILESO=C1CCNCC1CC1CCOc2ccccc21
InChIInChI=1S/C15H19NO2/c17-14-5-7-16-10-12(14)9-11-6-8-18-15-4-2-1-3-13(11)15/h1-4,11-12,16H,5-10H2
InChIKeyAMKCIUPQFLNMGS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.12
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one

3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one (PubChem CID 114451510) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
PubChem CID114451510
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one
SMILESO=C1CCNCC1CC1CCOc2ccccc21
InChIInChI=1S/C15H19NO2/c17-14-5-7-16-10-12(14)9-11-6-8-18-15-4-2-1-3-13(11)15/h1-4,11-12,16H,5-10H2
InChIKeyAMKCIUPQFLNMGS-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-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

3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
CID 104771813
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
3-(3,4-dihydro-2H-chromen-4-ylmethylsulfinylmethyl)azetidine
CID 113451582
(4aR,11bS)-1,2,3,4,4a,5,6,11b-octahydro-[1]benzoxepino[4,5-c]pyridine
CID 165145899
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
5-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 104771276

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one (CID 114451510) is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one is O=C1CCNCC1CC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one?
The InChIKey is AMKCIUPQFLNMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-5-7-16-10-12(14)9-11-6-8-18-15-4-2-1-3-13(11)15/h1-4,11-12,16H,5-10H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one?
3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-4-one is sourced from PubChem (CID 114451510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).