1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide

C13H23N3O2 — CID 135255719

IUPAC1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)/C=C/CN(C)C)CC1
InChIInChI=1S/C13H23N3O2/c1-14-13(18)11-6-9-16(10-7-11)12(17)5-4-8-15(2)3/h4-5,11H,6-10H2,1-3H3,(H,14,18)/b5-4+
InChIKeyODNQMQWHJOMNNR-SNAWJCMRSA-N
MW253.35 g/mol
LogP0.09
Rot. Bonds4

About 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide

1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 135255719) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide
PubChem CID135255719
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)/C=C/CN(C)C)CC1
InChIInChI=1S/C13H23N3O2/c1-14-13(18)11-6-9-16(10-7-11)12(17)5-4-8-15(2)3/h4-5,11H,6-10H2,1-3H3,(H,14,18)/b5-4+
InChIKeyODNQMQWHJOMNNR-SNAWJCMRSA-N
XLogP0.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide (CID 135255719) is 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)/C=C/CN(C)C)CC1.
What is the InChIKey of 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ODNQMQWHJOMNNR-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-14-13(18)11-6-9-16(10-7-11)12(17)5-4-8-15(2)3/h4-5,11H,6-10H2,1-3H3,(H,14,18)/b5-4+.
What are the key properties of 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide?
1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 135255719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).