N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide

C20H29N3O2 — CID 136516685

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCC2CCCN2Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c1-2-19(24)23-12-10-17(15-23)20(25)21-13-18-9-6-11-22(18)14-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,25)
InChIKeyZAMVADKBFKCSQY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.03
Rot. Bonds6

About N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide

N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide (PubChem CID 136516685) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
PubChem CID136516685
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCC2CCCN2Cc2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c1-2-19(24)23-12-10-17(15-23)20(25)21-13-18-9-6-11-22(18)14-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,25)
InChIKeyZAMVADKBFKCSQY-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-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

(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
1-[(1-benzylpiperidin-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122513
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111583204
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76859310
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
ethyl 1-[N-[(1-benzylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157897
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide (CID 136516685) is N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide is CCC(=O)N1CCC(C(=O)NCC2CCCN2Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide?
The InChIKey is ZAMVADKBFKCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-19(24)23-12-10-17(15-23)20(25)21-13-18-9-6-11-22(18)14-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,25).
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide?
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136516685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).