N-(2-methylpropanimidoyl)piperidine-4-carboxamide

C10H19N3O — CID 173475336

IUPACN-(2-methylpropanimidoyl)piperidine-4-carboxamide
SMILES[H]/N=C(/NC(=O)C1CCNCC1)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)9(11)13-10(14)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyMWPSTQLRJFFKJA-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.74
Rot. Bonds2

About N-(2-methylpropanimidoyl)piperidine-4-carboxamide

N-(2-methylpropanimidoyl)piperidine-4-carboxamide (PubChem CID 173475336) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-methylpropanimidoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropanimidoyl)piperidine-4-carboxamide
PubChem CID173475336
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(2-methylpropanimidoyl)piperidine-4-carboxamide
SMILES[H]/N=C(/NC(=O)C1CCNCC1)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)9(11)13-10(14)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyMWPSTQLRJFFKJA-UHFFFAOYSA-N
XLogP0.74
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
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

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
N-(3-amino-3-iminopropyl)piperidine-4-carboxamide
CID 130388646
N-(N-hydroxy-C-piperidin-4-ylcarbonimidoyl)acetamide
CID 136460648
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
Ethane;molecular hydrogen;2-oxo-2-piperidin-4-ylethanimidamide
CID 145256847

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropanimidoyl)piperidine-4-carboxamide (CID 173475336) is N-(2-methylpropanimidoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropanimidoyl)piperidine-4-carboxamide is [H]/N=C(/NC(=O)C1CCNCC1)C(C)C.
What is the InChIKey of N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
The InChIKey is MWPSTQLRJFFKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)9(11)13-10(14)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14).
What are the key properties of N-(2-methylpropanimidoyl)piperidine-4-carboxamide?
N-(2-methylpropanimidoyl)piperidine-4-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanimidoyl)piperidine-4-carboxamide is sourced from PubChem (CID 173475336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).