N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119552186

IUPACN-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCN1C(=O)Cc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-20(15-9-10-19-13-15)18(23)16-8-5-11-21(16)17(22)12-14-6-3-2-4-7-14;/h2-4,6-7,15-16,19H,5,8-13H2,1H3;1H
InChIKeyGYPGIZXTKJDWBD-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.46
Rot. Bonds4

About N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride

N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119552186) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119552186
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCN1C(=O)Cc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-20(15-9-10-19-13-15)18(23)16-8-5-11-21(16)17(22)12-14-6-3-2-4-7-14;/h2-4,6-7,15-16,19H,5,8-13H2,1H3;1H
InChIKeyGYPGIZXTKJDWBD-UHFFFAOYSA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride 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

1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119551072
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119654596
N-ethyl-N-(2-hydroxyethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 110906282
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119551453
N,2,2-trimethyl-5-phenyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119550298

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride (CID 119552186) is N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride is CN(C(=O)C1CCCN1C(=O)Cc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GYPGIZXTKJDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-20(15-9-10-19-13-15)18(23)16-8-5-11-21(16)17(22)12-14-6-3-2-4-7-14;/h2-4,6-7,15-16,19H,5,8-13H2,1H3;1H.
What are the key properties of N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119552186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).