4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide

C10H19N3O — CID 134233744

IUPAC4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide
SMILESNC/C=C/CC1CCN(C(N)=O)CC1
InChIInChI=1S/C10H19N3O/c11-6-2-1-3-9-4-7-13(8-5-9)10(12)14/h1-2,9H,3-8,11H2,(H2,12,14)/b2-1+
InChIKeyBOFYIWIMHPQEPO-OWOJBTEDSA-N
MW197.28 g/mol
LogP0.68
Rot. Bonds3

About 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide

4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide (PubChem CID 134233744) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide
PubChem CID134233744
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide
SMILESNC/C=C/CC1CCN(C(N)=O)CC1
InChIInChI=1S/C10H19N3O/c11-6-2-1-3-9-4-7-13(8-5-9)10(12)14/h1-2,9H,3-8,11H2,(H2,12,14)/b2-1+
InChIKeyBOFYIWIMHPQEPO-OWOJBTEDSA-N
XLogP0.68
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl tetrahydroisoquinoline
CID 129861994
4-[(E)-5-aminopent-3-enyl]piperidine-1-carbonyl fluoride
CID 142280895
1-Cyclohex-2-en-1-yl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817533
1-[(1R)-cyclohex-2-en-1-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 99827641
1-[(1S)-cyclohex-2-en-1-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 99827642
2-Azabicyclo[3.2.1]oct-6-ene-2-carboxamide
CID 58123824
4-(2-Aminoethylidene)piperidine-1-carboxamide
CID 89384823
8-Azaspiro[4.5]dec-2-ene-8-carboxamide
CID 90756784
[4-(2,7-dihydro-1H-azepin-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 123608694
4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxylic acid
CID 134227187
4-(4-Aminobut-2-enyl)piperidine-1-carboxylic acid
CID 134227189
1-[4-[(E)-5-aminopent-3-enyl]piperidin-1-yl]ethanone
CID 134242581

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide (CID 134233744) is 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide is NC/C=C/CC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide?
The InChIKey is BOFYIWIMHPQEPO-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H19N3O/c11-6-2-1-3-9-4-7-13(8-5-9)10(12)14/h1-2,9H,3-8,11H2,(H2,12,14)/b2-1+.
What are the key properties of 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide?
4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-aminobut-2-enyl]piperidine-1-carboxamide is sourced from PubChem (CID 134233744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).