N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide

C18H26N4O — CID 111052563

IUPACN'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(CN2CCCC2=O)cc1)N1CCCCC1
InChIInChI=1S/C18H26N4O/c19-18(21-10-2-1-3-11-21)20-13-15-6-8-16(9-7-15)14-22-12-4-5-17(22)23/h6-9H,1-5,10-14H2,(H2,19,20)
InChIKeyVIXLARRIYSPRNG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.11
Rot. Bonds4

About N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide

N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111052563) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111052563
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(CN2CCCC2=O)cc1)N1CCCCC1
InChIInChI=1S/C18H26N4O/c19-18(21-10-2-1-3-11-21)20-13-15-6-8-16(9-7-15)14-22-12-4-5-17(22)23/h6-9H,1-5,10-14H2,(H2,19,20)
InChIKeyVIXLARRIYSPRNG-UHFFFAOYSA-N
XLogP2.11
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.11
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

N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111052786
1-cyclopropyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110917870
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propylguanidine
CID 111052483
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-prop-2-enylguanidine
CID 110917866
1-(2-methylprop-2-enyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 54731320
1-(4-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052504
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
1-(3,4-dimethylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052492
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052528
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
N'-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111080490

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide (CID 111052563) is N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide is N/C(=N\Cc1ccc(CN2CCCC2=O)cc1)N1CCCCC1.
What is the InChIKey of N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is VIXLARRIYSPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c19-18(21-10-2-1-3-11-21)20-13-15-6-8-16(9-7-15)14-22-12-4-5-17(22)23/h6-9H,1-5,10-14H2,(H2,19,20).
What are the key properties of N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 314.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111052563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).