N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide

C16H23N3O — CID 63005959

IUPACN-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CCNC1
InChIInChI=1S/C16H23N3O/c20-16(14-6-8-17-10-14)18-15-7-9-19(12-15)11-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2,(H,18,20)
InChIKeyLJWBNWUNHCXRBV-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.99
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide

N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 63005959) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
PubChem CID63005959
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CCNC1
InChIInChI=1S/C16H23N3O/c20-16(14-6-8-17-10-14)18-15-7-9-19(12-15)11-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2,(H,18,20)
InChIKeyLJWBNWUNHCXRBV-UHFFFAOYSA-N
XLogP0.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide 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

N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 70690145
2-(azetidin-3-yl)-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 64618361
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide (CID 63005959) is N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C1CCNC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is LJWBNWUNHCXRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(14-6-8-17-10-14)18-15-7-9-19(12-15)11-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2,(H,18,20).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide?
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).