4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid

C28H28F3N3O6 — CID 172717064

IUPAC4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCC(Oc3ccncc3)CC2)c2ccccc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H27N3O4.C2HF3O2/c1-32-21-9-7-20(8-10-21)25(30)28-24(19-5-3-2-4-6-19)26(31)29-17-13-23(14-18-29)33-22-11-15-27-16-12-22;3-2(4,5)1(6)7/h2-12,15-16,23-24H,13-14,17-18H2,1H3,(H,28,30);(H,6,7)/t24-;/m1./s1
InChIKeyFZTNUEKHRAEUBF-GJFSDDNBSA-N
MW559.54 g/mol
LogP4.26
Rot. Bonds7

About 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid

4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 172717064) has the molecular formula C28H28F3N3O6 and a molecular weight of 559.54 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID172717064
Molecular FormulaC28H28F3N3O6
Molecular Weight559.54 g/mol
Exact Mass559.19
IUPAC Name4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCC(Oc3ccncc3)CC2)c2ccccc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H27N3O4.C2HF3O2/c1-32-21-9-7-20(8-10-21)25(30)28-24(19-5-3-2-4-6-19)26(31)29-17-13-23(14-18-29)33-22-11-15-27-16-12-22;3-2(4,5)1(6)7/h2-12,15-16,23-24H,13-14,17-18H2,1H3,(H,28,30);(H,6,7)/t24-;/m1./s1
InChIKeyFZTNUEKHRAEUBF-GJFSDDNBSA-N
XLogP4.26
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 119562927
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
4-methoxy-N-[2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 10139436
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
tert-butyl N-[(1S)-2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 86760587
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
3,5-dimethoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287011
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid (CID 172717064) is 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid is COc1ccc(C(=O)N[C@@H](C(=O)N2CCC(Oc3ccncc3)CC2)c2ccccc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is FZTNUEKHRAEUBF-GJFSDDNBSA-N. The full InChI is InChI=1S/C26H27N3O4.C2HF3O2/c1-32-21-9-7-20(8-10-21)25(30)28-24(19-5-3-2-4-6-19)26(31)29-17-13-23(14-18-29)33-22-11-15-27-16-12-22;3-2(4,5)1(6)7/h2-12,15-16,23-24H,13-14,17-18H2,1H3,(H,28,30);(H,6,7)/t24-;/m1./s1.
What are the key properties of 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid?
4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 559.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172717064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).