N-[(E)-pent-3-enyl]piperidine-4-carboxamide

C11H20N2O — CID 115976386

IUPACN-[(E)-pent-3-enyl]piperidine-4-carboxamide
SMILESC/C=C/CCNC(=O)C1CCNCC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-7-13-11(14)10-5-8-12-9-6-10/h2-3,10,12H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyWEZBVXRQKDZACT-NSCUHMNNSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds4

About N-[(E)-pent-3-enyl]piperidine-4-carboxamide

N-[(E)-pent-3-enyl]piperidine-4-carboxamide (PubChem CID 115976386) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]piperidine-4-carboxamide
PubChem CID115976386
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(E)-pent-3-enyl]piperidine-4-carboxamide
SMILESC/C=C/CCNC(=O)C1CCNCC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-7-13-11(14)10-5-8-12-9-6-10/h2-3,10,12H,4-9H2,1H3,(H,13,14)/b3-2+
InChIKeyWEZBVXRQKDZACT-NSCUHMNNSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
CID 115627883
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide
CID 115734040
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589491
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]piperidine-4-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]piperidine-4-carboxamide (CID 115976386) is N-[(E)-pent-3-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]piperidine-4-carboxamide is C/C=C/CCNC(=O)C1CCNCC1.
What is the InChIKey of N-[(E)-pent-3-enyl]piperidine-4-carboxamide?
The InChIKey is WEZBVXRQKDZACT-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-7-13-11(14)10-5-8-12-9-6-10/h2-3,10,12H,4-9H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]piperidine-4-carboxamide?
N-[(E)-pent-3-enyl]piperidine-4-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 115976386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).