N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide

C10H19N3O — CID 123586564

IUPACN-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
SMILESCC(C)/C(N)=N\C(=O)C1CCCNC1
InChIInChI=1S/C10H19N3O/c1-7(2)9(11)13-10(14)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyXGQQWNFYIAILNA-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.53
Rot. Bonds2

About N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide

N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide (PubChem CID 123586564) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
PubChem CID123586564
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
SMILESCC(C)/C(N)=N\C(=O)C1CCCNC1
InChIInChI=1S/C10H19N3O/c1-7(2)9(11)13-10(14)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14)
InChIKeyXGQQWNFYIAILNA-UHFFFAOYSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
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'-[(1-butanoylpiperidin-3-yl)methyl]ethanimidamide
CID 53844572
N-(1-amino-2-piperidin-4-ylethylidene)acetamide
CID 57274047
N'-[3-[(3R)-2,6-dioxo-1,5-diazacycloundec-3-yl]propyl]propanimidamide
CID 68011955
(2S)-5-(1-aminoethylideneamino)-N,2-dimethylpentanamide
CID 89328658
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
5-Amino-4-(methylaminomethyl)-3,5-bis(methylimino)pentanamide
CID 123158487
N-(1-aminoethylidene)-1-methylpiperidine-3-carboxamide;ethane
CID 144072056
N-(1-aminoethylidene)-1-methylpiperidine-3-carboxamide
CID 144072057
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide
CID 156807596

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide (CID 123586564) is N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide is CC(C)/C(N)=N\C(=O)C1CCCNC1.
What is the InChIKey of N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide?
The InChIKey is XGQQWNFYIAILNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)9(11)13-10(14)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3,(H2,11,13,14).
What are the key properties of N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide?
N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide is sourced from PubChem (CID 123586564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).