3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone

C19H25NO2 — CID 97247319

IUPAC3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C19H25NO2/c21-19(17-9-6-14-22-15-17)20-13-5-4-10-18(20)12-11-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2/t18-/m1/s1
InChIKeyBGRINNNIYRLNRC-GOSISDBHSA-N
MW299.41 g/mol
LogP3.69
Rot. Bonds4

About 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone

3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 97247319) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID97247319
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(C1=COCCC1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C19H25NO2/c21-19(17-9-6-14-22-15-17)20-13-5-4-10-18(20)12-11-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2/t18-/m1/s1
InChIKeyBGRINNNIYRLNRC-GOSISDBHSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97207141
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97118979
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97118978
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 97247319) is 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone is O=C(C1=COCCC1)N1CCCC[C@@H]1CCc1ccccc1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is BGRINNNIYRLNRC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25NO2/c21-19(17-9-6-14-22-15-17)20-13-5-4-10-18(20)12-11-16-7-2-1-3-8-16/h1-3,7-8,15,18H,4-6,9-14H2/t18-/m1/s1.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 299.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97247319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).