N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide

C28H27FN2O3 — CID 55699882

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccccc1C=C(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C28H27FN2O3/c1-34-26-14-8-5-11-21(26)19-24(20-9-3-2-4-10-20)27(32)30-22-15-17-31(18-16-22)28(33)23-12-6-7-13-25(23)29/h2-14,19,22H,15-18H2,1H3,(H,30,32)
InChIKeyZJENKEVRABUAEZ-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.80
Rot. Bonds6

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 55699882) has the molecular formula C28H27FN2O3 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID55699882
Molecular FormulaC28H27FN2O3
Molecular Weight458.53 g/mol
Exact Mass458.20
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccccc1C=C(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C28H27FN2O3/c1-34-26-14-8-5-11-21(26)19-24(20-9-3-2-4-10-20)27(32)30-22-15-17-31(18-16-22)28(33)23-12-6-7-13-25(23)29/h2-14,19,22H,15-18H2,1H3,(H,30,32)
InChIKeyZJENKEVRABUAEZ-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55700165
(E)-3-(2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-2-phenylprop-2-en-1-one
CID 46538687
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide (CID 55699882) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccccc1C=C(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is ZJENKEVRABUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O3/c1-34-26-14-8-5-11-21(26)19-24(20-9-3-2-4-10-20)27(32)30-22-15-17-31(18-16-22)28(33)23-12-6-7-13-25(23)29/h2-14,19,22H,15-18H2,1H3,(H,30,32).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 458.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 55699882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).