methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate

C18H23NO4 — CID 29362626

IUPACmethyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C18H23NO4/c1-22-17(21)18(14-6-3-2-4-7-14)9-11-19(12-10-18)16(20)15-8-5-13-23-15/h2-4,6-7,15H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyVYNLDEOHAQEQFS-OAHLLOKOSA-N
MW317.38 g/mol
LogP1.90
Rot. Bonds3

About methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate

methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 29362626) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
PubChem CID29362626
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Namemethyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C18H23NO4/c1-22-17(21)18(14-6-3-2-4-7-14)9-11-19(12-10-18)16(20)15-8-5-13-23-15/h2-4,6-7,15H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyVYNLDEOHAQEQFS-OAHLLOKOSA-N
XLogP1.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 4-phenyl-1-(1-prop-2-ynylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 86839651
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
N'-methyl-4-(oxolane-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111301756
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
methyl 1-(2-methylbenzoyl)-4-phenylpiperidine-4-carboxylate
CID 46420789
1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512794
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate (CID 29362626) is methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is VYNLDEOHAQEQFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-17(21)18(14-6-3-2-4-7-14)9-11-19(12-10-18)16(20)15-8-5-13-23-15/h2-4,6-7,15H,5,8-13H2,1H3/t15-/m1/s1.
What are the key properties of methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate?
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 29362626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).