4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate

C19H25N2O3- — CID 86751925

IUPAC4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
SMILESCC1(C)CCCN(C(=O)C2CC(C(=O)[O-])NC2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-19(2)9-6-10-21(12-19)17(22)14-11-15(18(23)24)20-16(14)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,6,9-12H2,1-2H3,(H,23,24)/p-1
InChIKeyJMYOWUBXKNBMED-UHFFFAOYSA-M
MW329.42 g/mol
LogP1.10
Rot. Bonds3

About 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate

4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate (PubChem CID 86751925) has the molecular formula C19H25N2O3- and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
PubChem CID86751925
Molecular FormulaC19H25N2O3-
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
SMILESCC1(C)CCCN(C(=O)C2CC(C(=O)[O-])NC2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-19(2)9-6-10-21(12-19)17(22)14-11-15(18(23)24)20-16(14)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,6,9-12H2,1-2H3,(H,23,24)/p-1
InChIKeyJMYOWUBXKNBMED-UHFFFAOYSA-M
XLogP1.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 123477131
1-benzyl-3-[(1R,2S)-2-(3,3-dimethylpiperidine-1-carbonyl)cyclohexyl]urea
CID 89490434
tert-butyl 1-(2-aminoacetyl)-4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
CID 139692986
[(2S,4S,5R)-4-(1-tert-butylpyrazol-3-yl)-5-(3-fluorophenyl)pyrrolidin-2-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 110122223
(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
2-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 115923844
5-(3,3-dimethylpiperidine-1-carbonyl)-2-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 19709476
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
2-anilino-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119734687
4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 78957612

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
The IUPAC name of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate (CID 86751925) is 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate is CC1(C)CCCN(C(=O)C2CC(C(=O)[O-])NC2c2ccccc2)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
The InChIKey is JMYOWUBXKNBMED-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H26N2O3/c1-19(2)9-6-10-21(12-19)17(22)14-11-15(18(23)24)20-16(14)13-7-4-3-5-8-13/h3-5,7-8,14-16,20H,6,9-12H2,1-2H3,(H,23,24)/p-1.
What are the key properties of 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate?
4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate has a molecular weight of 329.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 86751925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).