N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide

C13H25N3O — CID 145380362

IUPACN-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILES[H]/N=C(/NC(=O)C1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)15-13(17)11-5-7-16(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyFWDWDRMMFOYJKW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.86
Rot. Bonds3

About N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide

N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 145380362) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID145380362
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILES[H]/N=C(/NC(=O)C1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)12(14)15-13(17)11-5-7-16(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyFWDWDRMMFOYJKW-UHFFFAOYSA-N
XLogP1.86
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.86
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

N-cyclopropyl-2-imino-N-propyl-1-(2,2,2-trifluoroethanimidoyl)piperidine-4-carboxamide
CID 58376645
1-(2-Piperidin-4-ylethanimidoyl)pyrrolidin-2-one
CID 57157468
1-(2-Methylpropanimidoyl)piperidine-4-carboxamide
CID 57640410
1-Ethanimidoylpiperidine-4-carboxamide
CID 60085603
1-Propanoylpiperidine-4-carboximidamide
CID 89145196
N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
CID 90084974
1-(2-Methylpropanoyl)piperidine-4-carboximidamide
CID 99975645
N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
CID 123794760
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
CID 145380383
3-Imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 152756450

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 145380362) is N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide is [H]/N=C(/NC(=O)C1CCN(C(C)C)CC1)C(C)C.
What is the InChIKey of N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is FWDWDRMMFOYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)12(14)15-13(17)11-5-7-16(8-6-11)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15,17).
What are the key properties of N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 145380362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).