6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C34H37F3N4O5 — CID 123884987

IUPAC6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(C(=O)NC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H37F3N4O5/c1-45-29-10-5-24(6-11-29)32(43)25-12-18-41(19-13-25)31(42)20-28-7-4-26(21-38-28)33(44)39-27-14-16-40(17-15-27)22-23-2-8-30(9-3-23)46-34(35,36)37/h2-11,21,25,27H,12-20,22H2,1H3,(H,39,44)
InChIKeyFSFXNJWCRDBFHS-UHFFFAOYSA-N
MW638.69 g/mol
LogP5.05
Rot. Bonds10

About 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 123884987) has the molecular formula C34H37F3N4O5 and a molecular weight of 638.69 g/mol. Its IUPAC name is 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID123884987
Molecular FormulaC34H37F3N4O5
Molecular Weight638.69 g/mol
Exact Mass638.27
IUPAC Name6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(C(=O)NC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H37F3N4O5/c1-45-29-10-5-24(6-11-29)32(43)25-12-18-41(19-13-25)31(42)20-28-7-4-26(21-38-28)33(44)39-27-14-16-40(17-15-27)22-23-2-8-30(9-3-23)46-34(35,36)37/h2-11,21,25,27H,12-20,22H2,1H3,(H,39,44)
InChIKeyFSFXNJWCRDBFHS-UHFFFAOYSA-N
XLogP5.05
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.69
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710292
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710720
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441
2-[(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 161466612
5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134300171
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676198
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[(3S,4S)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710536
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 123884987) is 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(C(=O)NC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FSFXNJWCRDBFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N4O5/c1-45-29-10-5-24(6-11-29)32(43)25-12-18-41(19-13-25)31(42)20-28-7-4-26(21-38-28)33(44)39-27-14-16-40(17-15-27)22-23-2-8-30(9-3-23)46-34(35,36)37/h2-11,21,25,27H,12-20,22H2,1H3,(H,39,44).
What are the key properties of 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 638.69 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 123884987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).