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

C23H32N2O4 — CID 108935727

IUPAC(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)/C=C/C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C23H32N2O4/c1-28-20-10-9-18(16-21(20)29-2)23(27)25-14-12-19(13-15-25)24-22(26)11-8-17-6-4-3-5-7-17/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H,24,26)/b11-8+
InChIKeyOHLOGCHBAKUBDR-DHZHZOJOSA-N
MW400.52 g/mol
LogP3.56
Rot. Bonds6

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

(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide (PubChem CID 108935727) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide
PubChem CID108935727
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)/C=C/C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C23H32N2O4/c1-28-20-10-9-18(16-21(20)29-2)23(27)25-14-12-19(13-15-25)24-22(26)11-8-17-6-4-3-5-7-17/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H,24,26)/b11-8+
InChIKeyOHLOGCHBAKUBDR-DHZHZOJOSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.56
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)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
(E)-3-cyclopentyl-1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108935081
[3-[4-[[(E)-3-cyclohexylprop-2-enoyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927562
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935169
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide (CID 108935727) is (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide is COc1ccc(C(=O)N2CCC(NC(=O)/C=C/C3CCCCC3)CC2)cc1OC.
What is the InChIKey of (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is OHLOGCHBAKUBDR-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-28-20-10-9-18(16-21(20)29-2)23(27)25-14-12-19(13-15-25)24-22(26)11-8-17-6-4-3-5-7-17/h8-11,16-17,19H,3-7,12-15H2,1-2H3,(H,24,26)/b11-8+.
What are the key properties of (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide?
(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 400.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 108935727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).