methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate

C19H27N3O3 — CID 51093260

IUPACmethyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)C2CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-25-19(24)21-12-9-16(10-13-21)20-18(23)17-8-5-11-22(17)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,20,23)
InChIKeyZRWQOQAHNQUGSA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.00
Rot. Bonds4

About methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate

methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 51093260) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID51093260
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namemethyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)C2CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-25-19(24)21-12-9-16(10-13-21)20-18(23)17-8-5-11-22(17)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,20,23)
InChIKeyZRWQOQAHNQUGSA-UHFFFAOYSA-N
XLogP2.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-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

methyl 4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 47897958
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
ethyl 4-[[N'-[(1-benzylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111813543
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate (CID 51093260) is methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)C2CCCN2Cc2ccccc2)CC1.
What is the InChIKey of methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is ZRWQOQAHNQUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-19(24)21-12-9-16(10-13-21)20-18(23)17-8-5-11-22(17)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,20,23).
What are the key properties of methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate?
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 51093260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).