1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C19H24N2O4 — CID 119355365

IUPAC1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC(C(=O)O)C2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H24N2O4/c1-19(18(25)20-11-8-15(12-20)17(23)24)9-5-10-21(13-19)16(22)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,23,24)
InChIKeyJBNIBFDSYGURSM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.86
Rot. Bonds3

About 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119355365) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119355365
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC(C(=O)O)C2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H24N2O4/c1-19(18(25)20-11-8-15(12-20)17(23)24)9-5-10-21(13-19)16(22)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,23,24)
InChIKeyJBNIBFDSYGURSM-UHFFFAOYSA-N
XLogP1.86
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methylpiperidin-1-yl]-phenylmethanone
CID 120819831
(3R,4R)-1-(1-benzoyl-3-methylpiperidine-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979794
[3-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-phenylmethanone;hydrochloride
CID 119397317
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
8-(1-benzoyl-3-methylpiperidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005270
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119355365) is 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)N2CCC(C(=O)O)C2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JBNIBFDSYGURSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(18(25)20-11-8-15(12-20)17(23)24)9-5-10-21(13-19)16(22)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,23,24).
What are the key properties of 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).