N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide

C17H28N4O — CID 111210589

IUPACN',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCCn1ccccc1=O)N1CCC(C)CC1
InChIInChI=1S/C17H28N4O/c1-15-8-13-21(14-9-15)17(18-2)19-10-4-6-12-20-11-5-3-7-16(20)22/h3,5,7,11,15H,4,6,8-10,12-14H2,1-2H3,(H,18,19)
InChIKeyMBZZYENHXZZFGE-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.94
Rot. Bonds5

About N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide

N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide (PubChem CID 111210589) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
PubChem CID111210589
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCCn1ccccc1=O)N1CCC(C)CC1
InChIInChI=1S/C17H28N4O/c1-15-8-13-21(14-9-15)17(18-2)19-10-4-6-12-20-11-5-3-7-16(20)22/h3,5,7,11,15H,4,6,8-10,12-14H2,1-2H3,(H,18,19)
InChIKeyMBZZYENHXZZFGE-UHFFFAOYSA-N
XLogP1.94
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 110959622
3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide
CID 111746499
4-(2,5-difluorophenyl)-N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperazine-1-carboximidamide
CID 109451611
ethyl 1-[N'-methyl-N-[4-(2-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993347
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111210597
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914972
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111391148

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide (CID 111210589) is N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide is C/N=C(\NCCCCn1ccccc1=O)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide?
The InChIKey is MBZZYENHXZZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-15-8-13-21(14-9-15)17(18-2)19-10-4-6-12-20-11-5-3-7-16(20)22/h3,5,7,11,15H,4,6,8-10,12-14H2,1-2H3,(H,18,19).
What are the key properties of N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide?
N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide has a molecular weight of 304.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111210589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).