3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide

C19H28N4O — CID 110018098

IUPAC3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2CC(=O)N(C)C2c2ccccc2)C1
InChIInChI=1S/C19H28N4O/c1-14-7-6-10-23(13-14)19(20)21-12-16-11-17(24)22(2)18(16)15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H2,20,21)
InChIKeyLRJHXRHDUTZNGN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.25
Rot. Bonds3

About 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide

3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide (PubChem CID 110018098) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
PubChem CID110018098
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC2CC(=O)N(C)C2c2ccccc2)C1
InChIInChI=1S/C19H28N4O/c1-14-7-6-10-23(13-14)19(20)21-12-16-11-17(24)22(2)18(16)15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H2,20,21)
InChIKeyLRJHXRHDUTZNGN-UHFFFAOYSA-N
XLogP2.25
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.25
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'}

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Related Compounds

2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
CID 110018170
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[[2-(4-methylphenyl)oxan-3-yl]methyl]piperidine-1-carboximidamide
CID 111815556
3-methyl-N'-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]piperidine-1-carboximidamide
CID 122099290
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939
(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 98881750
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 124776857
N'-[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120662293
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide (CID 110018098) is 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC2CC(=O)N(C)C2c2ccccc2)C1.
What is the InChIKey of 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is LRJHXRHDUTZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-7-6-10-23(13-14)19(20)21-12-16-11-17(24)22(2)18(16)15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H2,20,21).
What are the key properties of 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide?
3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 328.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110018098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).