4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide

C27H28F3N3O3 — CID 23396295

IUPAC4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide
SMILESCc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H28F3N3O3/c1-19-2-5-22(16-25(19)35-18-21-3-6-24(7-4-21)36-27(28,29)30)26(34)32-17-20-10-14-33(15-11-20)23-8-12-31-13-9-23/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,32,34)
InChIKeyQLBZXSUICXKFOI-UHFFFAOYSA-N
MW499.53 g/mol
LogP5.51
Rot. Bonds8

About 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide

4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide (PubChem CID 23396295) has the molecular formula C27H28F3N3O3 and a molecular weight of 499.53 g/mol. Its IUPAC name is 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide
PubChem CID23396295
Molecular FormulaC27H28F3N3O3
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC Name4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide
SMILESCc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H28F3N3O3/c1-19-2-5-22(16-25(19)35-18-21-3-6-24(7-4-21)36-27(28,29)30)26(34)32-17-20-10-14-33(15-11-20)23-8-12-31-13-9-23/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,32,34)
InChIKeyQLBZXSUICXKFOI-UHFFFAOYSA-N
XLogP5.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121107711
4-chloro-3-[2-(4-methylphenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396288
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
3-[2-(4-cyanophenyl)ethoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396259
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108732
butyl 2-[4-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoyl]phenoxy]acetate
CID 18918357
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396254
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
CID 86263583

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide?
The IUPAC name of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide (CID 23396295) is 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide.
What is the SMILES notation for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide?
The canonical SMILES for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide is Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide?
The InChIKey is QLBZXSUICXKFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3/c1-19-2-5-22(16-25(19)35-18-21-3-6-24(7-4-21)36-27(28,29)30)26(34)32-17-20-10-14-33(15-11-20)23-8-12-31-13-9-23/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,32,34).
What are the key properties of 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide?
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide has a molecular weight of 499.53 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzamide is sourced from PubChem (CID 23396295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).