(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide

C15H19N3O3 — CID 98271556

IUPAC(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H19N3O3/c1-17-9-7-13(8-10-17)16-15(19)6-5-12-3-2-4-14(11-12)18(20)21/h2-6,11,13H,7-10H2,1H3,(H,16,19)/b6-5+
InChIKeyDKAHWYVKZRDCQL-AATRIKPKSA-N
MW289.33 g/mol
LogP1.82
Rot. Bonds4

About (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 98271556) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID98271556
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H19N3O3/c1-17-9-7-13(8-10-17)16-15(19)6-5-12-3-2-4-14(11-12)18(20)21/h2-6,11,13H,7-10H2,1H3,(H,16,19)/b6-5+
InChIKeyDKAHWYVKZRDCQL-AATRIKPKSA-N
XLogP1.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(3-nitrophenyl)-N-[4-[[4-[[(Z)-3-(3-nitrophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
CID 99060409
(E)-N-[(1S,2R)-2-methylcyclohexyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7478919
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 8760464
(E)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 18082525
(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(3-nitrophenyl)prop-2-enamide
CID 56784248
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
N-[1-[3-(3-nitrophenyl)prop-2-enoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 76869721
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(E)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 70301575
[4-(ethylcarbamoylamino)cyclohexyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 47592170
(E)-3-(3-nitrophenyl)-N-piperidin-1-ylsulfonylprop-2-enamide
CID 60562890
methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 17313314

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide (CID 98271556) is (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide is CN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is DKAHWYVKZRDCQL-AATRIKPKSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-9-7-13(8-10-17)16-15(19)6-5-12-3-2-4-14(11-12)18(20)21/h2-6,11,13H,7-10H2,1H3,(H,16,19)/b6-5+.
What are the key properties of (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 289.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methylpiperidin-4-yl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 98271556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).