N-[(E)-but-2-enyl]piperidine-4-carboxamide

C10H18N2O — CID 131242610

IUPACN-[(E)-but-2-enyl]piperidine-4-carboxamide
SMILESC/C=C/CNC(=O)C1CCNCC1
InChIInChI=1S/C10H18N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h2-3,9,11H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyIOEOKCKLYOPRRJ-NSCUHMNNSA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds3

About N-[(E)-but-2-enyl]piperidine-4-carboxamide

N-[(E)-but-2-enyl]piperidine-4-carboxamide (PubChem CID 131242610) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]piperidine-4-carboxamide
PubChem CID131242610
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(E)-but-2-enyl]piperidine-4-carboxamide
SMILESC/C=C/CNC(=O)C1CCNCC1
InChIInChI=1S/C10H18N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h2-3,9,11H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyIOEOKCKLYOPRRJ-NSCUHMNNSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
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-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636
N-[(2-methylcyclopropyl)methyl]piperidine-4-carboxamide
CID 115733780
N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
N-nona-2,6-dienylcyclopropanecarboxamide
CID 68854459
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
N-[(3-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
CID 66006145

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]piperidine-4-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]piperidine-4-carboxamide (CID 131242610) is N-[(E)-but-2-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]piperidine-4-carboxamide is C/C=C/CNC(=O)C1CCNCC1.
What is the InChIKey of N-[(E)-but-2-enyl]piperidine-4-carboxamide?
The InChIKey is IOEOKCKLYOPRRJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-6-12-10(13)9-4-7-11-8-5-9/h2-3,9,11H,4-8H2,1H3,(H,12,13)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]piperidine-4-carboxamide?
N-[(E)-but-2-enyl]piperidine-4-carboxamide has a molecular weight of 182.27 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 N-[(E)-but-2-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 131242610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).