N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide

C19H25N3O3 — CID 166413553

IUPACN-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCN(CC)C(=O)C2(C)C)cc1
InChIInChI=1S/C19H25N3O3/c1-6-16(23)20(5)15-10-8-14(9-11-15)17(24)22-13-12-21(7-2)18(25)19(22,3)4/h6,8-11H,1,7,12-13H2,2-5H3
InChIKeyAZRCKPZUSRFUCM-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.92
Rot. Bonds4

About N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide

N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide (PubChem CID 166413553) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide
PubChem CID166413553
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N2CCN(CC)C(=O)C2(C)C)cc1
InChIInChI=1S/C19H25N3O3/c1-6-16(23)20(5)15-10-8-14(9-11-15)17(24)22-13-12-21(7-2)18(25)19(22,3)4/h6,8-11H,1,7,12-13H2,2-5H3
InChIKeyAZRCKPZUSRFUCM-UHFFFAOYSA-N
XLogP1.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide (CID 166413553) is N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide is C=CC(=O)N(C)c1ccc(C(=O)N2CCN(CC)C(=O)C2(C)C)cc1.
What is the InChIKey of N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide?
The InChIKey is AZRCKPZUSRFUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-6-16(23)20(5)15-10-8-14(9-11-15)17(24)22-13-12-21(7-2)18(25)19(22,3)4/h6,8-11H,1,7,12-13H2,2-5H3.
What are the key properties of N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide?
N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166413553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).