(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one

C15H21NO2 — CID 118421052

IUPAC(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
SMILESO=C1NCCC[C@@H]1CCCOCc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15-14(8-4-10-16-15)9-5-11-18-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m1/s1
InChIKeyVRCYFLPDFLPLGQ-CQSZACIVSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds6

About (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one

(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one (PubChem CID 118421052) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
PubChem CID118421052
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
SMILESO=C1NCCC[C@@H]1CCCOCc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15-14(8-4-10-16-15)9-5-11-18-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m1/s1
InChIKeyVRCYFLPDFLPLGQ-CQSZACIVSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
3-(2-phenylethyl)piperidin-2-one
CID 10798202
5-(3-phenylmethoxypropyl)piperidine-2,4-dione
CID 69075313
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
4-(2-oxopyrrolidin-3-yl)butyl 2-phenylacetate
CID 175835175
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3S)-3-[(2R)-2-phenyl-3-phenylmethoxypropyl]pyrrolidin-2-one
CID 118420758
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
3-(2-pyridin-2-ylethyl)piperidin-2-one
CID 104679210
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 10923310

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one?
The IUPAC name of (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one (CID 118421052) is (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one?
The canonical SMILES for (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one is O=C1NCCC[C@@H]1CCCOCc1ccccc1.
What is the InChIKey of (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one?
The InChIKey is VRCYFLPDFLPLGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15-14(8-4-10-16-15)9-5-11-18-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m1/s1.
What are the key properties of (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one?
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-phenylmethoxypropyl)piperidin-2-one is sourced from PubChem (CID 118421052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).