N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide

C24H36N4O — CID 111744424

IUPACN'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C24H36N4O/c1-25-23(28-17-14-24(19-28)12-4-2-5-13-24)26-18-20-8-10-21(11-9-20)22(29)27-15-6-3-7-16-27/h8-11H,2-7,12-19H2,1H3,(H,25,26)
InChIKeyCQHGKBZSUQURMK-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.04
Rot. Bonds3

About N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744424) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744424
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C24H36N4O/c1-25-23(28-17-14-24(19-28)12-4-2-5-13-24)26-18-20-8-10-21(11-9-20)22(29)27-15-6-3-7-16-27/h8-11H,2-7,12-19H2,1H3,(H,25,26)
InChIKeyCQHGKBZSUQURMK-UHFFFAOYSA-N
XLogP4.04
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.04
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'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732622
N',3,3-trimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738399
4-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111744431
4-[[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111733382
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733218
N'-methyl-N-[(4-sulfamoylphenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732826
1-[4-[[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111733027
N-[(4-cyanophenyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733844
N-[3-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111745325
N-[[4-(2-methoxyethylamino)phenyl]methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745094
N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732594

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744424) is N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is CQHGKBZSUQURMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-25-23(28-17-14-24(19-28)12-4-2-5-13-24)26-18-20-8-10-21(11-9-20)22(29)27-15-6-3-7-16-27/h8-11H,2-7,12-19H2,1H3,(H,25,26).
What are the key properties of N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 396.58 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).