(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide

C25H25N3O2 — CID 6234926

IUPAC(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25N3O2/c1-27-15-17-28(18-16-27)25(30)22-11-4-5-12-23(22)26-24(29)14-13-20-9-6-8-19-7-2-3-10-21(19)20/h2-14H,15-18H2,1H3,(H,26,29)/b14-13+
InChIKeyNKJYAPFPLXTXEW-BUHFOSPRSA-N
MW399.49 g/mol
LogP3.88
Rot. Bonds4

About (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 6234926) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID6234926
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25N3O2/c1-27-15-17-28(18-16-27)25(30)22-11-4-5-12-23(22)26-24(29)14-13-20-9-6-8-19-7-2-3-10-21(19)20/h2-14H,15-18H2,1H3,(H,26,29)/b14-13+
InChIKeyNKJYAPFPLXTXEW-BUHFOSPRSA-N
XLogP3.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.88
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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Related Compounds

(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234930
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 6234931
(E)-4,4-dimethyl-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]pent-2-enamide
CID 75407410
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
(E)-3-(4-fluorophenyl)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 6234935
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-naphthalen-1-ylprop-2-enamide
CID 41483751
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-(2-phenylethyl)benzamide
CID 6233444
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 4943630
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
(E)-N-[2-(azepane-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234393

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 6234926) is (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is CN1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc3ccccc23)CC1.
What is the InChIKey of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is NKJYAPFPLXTXEW-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27-15-17-28(18-16-27)25(30)22-11-4-5-12-23(22)26-24(29)14-13-20-9-6-8-19-7-2-3-10-21(19)20/h2-14H,15-18H2,1H3,(H,26,29)/b14-13+.
What are the key properties of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 399.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 6234926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).