N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide

C24H30N4O — CID 111052747

IUPACN'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
SMILESO=C1CCCN1Cc1cccc(C/N=C(\Nc2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C24H30N4O/c29-23-13-8-16-28(23)19-21-10-7-9-20(17-21)18-25-24(27-14-5-2-6-15-27)26-22-11-3-1-4-12-22/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18-19H2,(H,25,26)
InChIKeyLINJOHKHSPXWMB-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.26
Rot. Bonds5

About N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide

N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 111052747) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID111052747
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
SMILESO=C1CCCN1Cc1cccc(C/N=C(\Nc2ccccc2)N2CCCCC2)c1
InChIInChI=1S/C24H30N4O/c29-23-13-8-16-28(23)19-21-10-7-9-20(17-21)18-25-24(27-14-5-2-6-15-27)26-22-11-3-1-4-12-22/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18-19H2,(H,25,26)
InChIKeyLINJOHKHSPXWMB-UHFFFAOYSA-N
XLogP4.26
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide 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

2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine
CID 110915327
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111052786
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-ethyl-4-methyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210904
methyl 1-[N-ethyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253443
1,3-diethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915316
ethyl 4-[N-ethyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162655
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
4-ethoxy-N-ethyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959798
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119118514
2-[4-[N-ethyl-N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 111366661
4-benzylidene-N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 109414747

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide (CID 111052747) is N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide is O=C1CCCN1Cc1cccc(C/N=C(\Nc2ccccc2)N2CCCCC2)c1.
What is the InChIKey of N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is LINJOHKHSPXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-23-13-8-16-28(23)19-21-10-7-9-20(17-21)18-25-24(27-14-5-2-6-15-27)26-22-11-3-1-4-12-22/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18-19H2,(H,25,26).
What are the key properties of N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide?
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 390.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 111052747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).