N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide

C9H17N3O — CID 123794760

IUPACN-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
SMILESC/N=C(\C)NC(=O)C1CCNCC1
InChIInChI=1S/C9H17N3O/c1-7(10-2)12-9(13)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyPHGCLPZEDLYPQN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.15
Rot. Bonds1

About N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide

N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide (PubChem CID 123794760) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
PubChem CID123794760
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
SMILESC/N=C(\C)NC(=O)C1CCNCC1
InChIInChI=1S/C9H17N3O/c1-7(10-2)12-9(13)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyPHGCLPZEDLYPQN-UHFFFAOYSA-N
XLogP0.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-Methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 50944317
N-(1-amino-2-piperidin-4-ylethylidene)acetamide
CID 57274047
1-(2-Methylpropanimidoyl)piperidine-4-carboxamide
CID 57640410
1-Ethanimidoylpiperidine-4-carboxamide
CID 60085603
2-Propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 86277609
N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
CID 90084985
2-Propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745860
2-(5-Methyliminopyrrolidin-3-yl)-1-piperidin-1-ylethanone
CID 137298091
N-(methyliminomethyl)piperidine-4-carboxamide
CID 141863673
ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide
CID 143787729
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235

Frequently Asked Questions

What is the IUPAC name of N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide?
The IUPAC name of N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide (CID 123794760) is N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide is C/N=C(\C)NC(=O)C1CCNCC1.
What is the InChIKey of N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide?
The InChIKey is PHGCLPZEDLYPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(10-2)12-9(13)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3,(H,10,12,13).
What are the key properties of N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide?
N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide is sourced from PubChem (CID 123794760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).