N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide

C29H31FN2O5 — CID 171685696

IUPACN-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
SMILESCOc1cc(C)c(C(=O)N2CCC(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CC2)cc1OC
InChIInChI=1S/C29H31FN2O5/c1-19-16-26(35-2)27(36-3)17-25(19)29(34)32-14-12-21(13-15-32)20-4-8-23(9-5-20)31-28(33)18-37-24-10-6-22(30)7-11-24/h4-11,16-17,21H,12-15,18H2,1-3H3,(H,31,33)
InChIKeyPVHPDUQSKHDYJK-UHFFFAOYSA-N
MW506.57 g/mol
LogP5.19
Rot. Bonds8

About N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide

N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 171685696) has the molecular formula C29H31FN2O5 and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
PubChem CID171685696
Molecular FormulaC29H31FN2O5
Molecular Weight506.57 g/mol
Exact Mass506.22
IUPAC NameN-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
SMILESCOc1cc(C)c(C(=O)N2CCC(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CC2)cc1OC
InChIInChI=1S/C29H31FN2O5/c1-19-16-26(35-2)27(36-3)17-25(19)29(34)32-14-12-21(13-15-32)20-4-8-23(9-5-20)31-28(33)18-37-24-10-6-22(30)7-11-24/h4-11,16-17,21H,12-15,18H2,1-3H3,(H,31,33)
InChIKeyPVHPDUQSKHDYJK-UHFFFAOYSA-N
XLogP5.19
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[4-[1-(6-fluoro-1H-indole-5-carbonyl)piperidin-4-yl]anilino]-2-oxoethoxy]benzoate
CID 171683316
N'-(4-fluorophenyl)-N-[4-[1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-4-yl]phenyl]propanediamide
CID 171678318
methyl 4-[2-[4-[1-[2-(2,3-difluorophenyl)acetyl]piperidin-4-yl]anilino]-2-oxoethoxy]benzoate
CID 171683477
N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 2204732
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
2-(2,5-dimethylphenoxy)-N-[4-[1-(3-fluoro-5-nitrobenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171683900
N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 171681380
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-(4-fluorophenoxy)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110720390
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(4-methoxy-3-methylanilino)pyridine-2-sulfonamide
CID 118412866

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide (CID 171685696) is N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide is COc1cc(C)c(C(=O)N2CCC(c3ccc(NC(=O)COc4ccc(F)cc4)cc3)CC2)cc1OC.
What is the InChIKey of N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is PVHPDUQSKHDYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O5/c1-19-16-26(35-2)27(36-3)17-25(19)29(34)32-14-12-21(13-15-32)20-4-8-23(9-5-20)31-28(33)18-37-24-10-6-22(30)7-11-24/h4-11,16-17,21H,12-15,18H2,1-3H3,(H,31,33).
What are the key properties of N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide?
N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 506.57 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 171685696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).