benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate

C19H26N2O3 — CID 3556516

IUPACbenzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)C2CCCN2C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)19(23)24-14-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3
InChIKeyITPWUXJPFIJGLL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.05
Rot. Bonds3

About benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate

benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 3556516) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID3556516
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namebenzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)C2CCCN2C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)19(23)24-14-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3
InChIKeyITPWUXJPFIJGLL-UHFFFAOYSA-N
XLogP3.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid
CID 22853357
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 3556516) is benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate is CC1CCN(C(=O)C2CCCN2C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is ITPWUXJPFIJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15-9-12-20(13-10-15)18(22)17-8-5-11-21(17)19(23)24-14-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3.
What are the key properties of benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 3556516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).