N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide

C16H23N3O — CID 43424739

IUPACN-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CCCN1
InChIInChI=1S/C16H23N3O/c20-16(15-7-4-9-17-15)18-14-8-10-19(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2,(H,18,20)
InChIKeyOFFSZRQIZGAPLP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.13
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide

N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 43424739) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
PubChem CID43424739
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CCCN1
InChIInChI=1S/C16H23N3O/c20-16(15-7-4-9-17-15)18-14-8-10-19(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2,(H,18,20)
InChIKeyOFFSZRQIZGAPLP-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-(1-benzylpiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
CID 119856028
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
(3S,4R)-3-N-(1-benzylpyrrolidin-3-yl)-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 70690145
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide (CID 43424739) is N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C1CCCN1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is OFFSZRQIZGAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(15-7-4-9-17-15)18-14-8-10-19(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,17H,4,7-12H2,(H,18,20).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide?
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.13, 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-2-carboxamide is sourced from PubChem (CID 43424739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).