1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C18H23NO4 — CID 120512794

IUPAC1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC1CCC(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)O1
InChIInChI=1S/C18H23NO4/c1-13-7-8-15(23-13)16(20)19-11-9-18(10-12-19,17(21)22)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,21,22)
InChIKeyRIBPGJMQDKGZMZ-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.20
Rot. Bonds3

About 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 120512794) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID120512794
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC1CCC(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)O1
InChIInChI=1S/C18H23NO4/c1-13-7-8-15(23-13)16(20)19-11-9-18(10-12-19,17(21)22)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,21,22)
InChIKeyRIBPGJMQDKGZMZ-UHFFFAOYSA-N
XLogP2.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168299
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754
1-azabicyclo[2.2.2]octane;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 145196353
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid
CID 103565171
4-(5-methyloxolane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 81331115
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
4-phenyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
CID 54982791

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 120512794) is 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is CC1CCC(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)O1.
What is the InChIKey of 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is RIBPGJMQDKGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13-7-8-15(23-13)16(20)19-11-9-18(10-12-19,17(21)22)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,21,22).
What are the key properties of 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 120512794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).