1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide

C16H23N3O — CID 127267019

IUPAC1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(CC2CCN(c3ccccc3)C2)C1
InChIInChI=1S/C16H23N3O/c17-16(20)14-7-8-18(12-14)10-13-6-9-19(11-13)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,17,20)
InChIKeyULHGKWXZOONNPH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.32
Rot. Bonds4

About 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide

1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 127267019) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID127267019
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(CC2CCN(c3ccccc3)C2)C1
InChIInChI=1S/C16H23N3O/c17-16(20)14-7-8-18(12-14)10-13-6-9-19(11-13)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,17,20)
InChIKeyULHGKWXZOONNPH-UHFFFAOYSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-phenylpyrrolidin-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide (CID 127267019) is 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(CC2CCN(c3ccccc3)C2)C1.
What is the InChIKey of 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ULHGKWXZOONNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(20)14-7-8-18(12-14)10-13-6-9-19(11-13)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H2,17,20).
What are the key properties of 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide?
1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 127267019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).