N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide

C28H29F2N3O4 — CID 171683561

IUPACN-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide
SMILESCOc1cc(F)c(C(=O)N2CCC(c3ccc(NC(=O)CCc4cccc(OC)n4)cc3)CC2)c(F)c1
InChIInChI=1S/C28H29F2N3O4/c1-36-22-16-23(29)27(24(30)17-22)28(35)33-14-12-19(13-15-33)18-6-8-21(9-7-18)31-25(34)11-10-20-4-3-5-26(32-20)37-2/h3-9,16-17,19H,10-15H2,1-2H3,(H,31,34)
InChIKeyRSLZNHAAHIALPL-UHFFFAOYSA-N
MW509.55 g/mol
LogP4.97
Rot. Bonds8

About N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide

N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide (PubChem CID 171683561) has the molecular formula C28H29F2N3O4 and a molecular weight of 509.55 g/mol. Its IUPAC name is N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide
PubChem CID171683561
Molecular FormulaC28H29F2N3O4
Molecular Weight509.55 g/mol
Exact Mass509.21
IUPAC NameN-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide
SMILESCOc1cc(F)c(C(=O)N2CCC(c3ccc(NC(=O)CCc4cccc(OC)n4)cc3)CC2)c(F)c1
InChIInChI=1S/C28H29F2N3O4/c1-36-22-16-23(29)27(24(30)17-22)28(35)33-14-12-19(13-15-33)18-6-8-21(9-7-18)31-25(34)11-10-20-4-3-5-26(32-20)37-2/h3-9,16-17,19H,10-15H2,1-2H3,(H,31,34)
InChIKeyRSLZNHAAHIALPL-UHFFFAOYSA-N
XLogP4.97
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(3-methoxy-5-methylbenzoyl)piperidin-4-yl]phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 171683165
methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
CID 171685110
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-3-(2-methyl-3-pyridinyl)propanamide
CID 171685778
N-[2-[4-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]anilino]-2-oxoethyl]-N-methylbenzamide
CID 171698758
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
N-[4-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetamide
CID 171697442
N-[4-[1-[3-(3-bromo-4-fluorophenyl)propanoyl]piperidin-4-yl]phenyl]-3-methoxy-1-methylpyrazole-5-carboxamide
CID 171685253
N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 171685696

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide?
The IUPAC name of N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide (CID 171683561) is N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide.
What is the SMILES notation for N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide?
The canonical SMILES for N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide is COc1cc(F)c(C(=O)N2CCC(c3ccc(NC(=O)CCc4cccc(OC)n4)cc3)CC2)c(F)c1.
What is the InChIKey of N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide?
The InChIKey is RSLZNHAAHIALPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O4/c1-36-22-16-23(29)27(24(30)17-22)28(35)33-14-12-19(13-15-33)18-6-8-21(9-7-18)31-25(34)11-10-20-4-3-5-26(32-20)37-2/h3-9,16-17,19H,10-15H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide?
N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide has a molecular weight of 509.55 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide is sourced from PubChem (CID 171683561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).