(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide

C20H28N2O4 — CID 108935721

IUPAC(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)/C=C/C(C)C)CC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-14(2)5-8-19(23)21-16-9-11-22(12-10-16)20(24)15-6-7-17(25-3)18(13-15)26-4/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,23)/b8-5+
InChIKeyKENKTRSRNZZQOR-VMPITWQZSA-N
MW360.45 g/mol
LogP2.64
Rot. Bonds6

About (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide

(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide (PubChem CID 108935721) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
PubChem CID108935721
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)/C=C/C(C)C)CC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-14(2)5-8-19(23)21-16-9-11-22(12-10-16)20(24)15-6-7-17(25-3)18(13-15)26-4/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,23)/b8-5+
InChIKeyKENKTRSRNZZQOR-VMPITWQZSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide
CID 108935727
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide?
The IUPAC name of (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide (CID 108935721) is (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide is COc1ccc(C(=O)N2CCC(NC(=O)/C=C/C(C)C)CC2)cc1OC.
What is the InChIKey of (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide?
The InChIKey is KENKTRSRNZZQOR-VMPITWQZSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14(2)5-8-19(23)21-16-9-11-22(12-10-16)20(24)15-6-7-17(25-3)18(13-15)26-4/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,23)/b8-5+.
What are the key properties of (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide?
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide has a molecular weight of 360.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide is sourced from PubChem (CID 108935721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).