N-(piperidin-4-ylmethyl)pent-4-enamide

C11H20N2O — CID 62678185

IUPACN-(piperidin-4-ylmethyl)pent-4-enamide
SMILESC=CCCC(=O)NCC1CCNCC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-11(14)13-9-10-5-7-12-8-6-10/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyOQRQRMULITVPGI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds5

About N-(piperidin-4-ylmethyl)pent-4-enamide

N-(piperidin-4-ylmethyl)pent-4-enamide (PubChem CID 62678185) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)pent-4-enamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)pent-4-enamide
PubChem CID62678185
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(piperidin-4-ylmethyl)pent-4-enamide
SMILESC=CCCC(=O)NCC1CCNCC1
InChIInChI=1S/C11H20N2O/c1-2-3-4-11(14)13-9-10-5-7-12-8-6-10/h2,10,12H,1,3-9H2,(H,13,14)
InChIKeyOQRQRMULITVPGI-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)pent-4-enamide?
The IUPAC name of N-(piperidin-4-ylmethyl)pent-4-enamide (CID 62678185) is N-(piperidin-4-ylmethyl)pent-4-enamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)pent-4-enamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)pent-4-enamide is C=CCCC(=O)NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)pent-4-enamide?
The InChIKey is OQRQRMULITVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-11(14)13-9-10-5-7-12-8-6-10/h2,10,12H,1,3-9H2,(H,13,14).
What are the key properties of N-(piperidin-4-ylmethyl)pent-4-enamide?
N-(piperidin-4-ylmethyl)pent-4-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)pent-4-enamide is sourced from PubChem (CID 62678185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).