4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide

C68H85F3N8O7 — CID 87714098

IUPAC4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)NC(C)C)cc4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C35H43F3N4O4.C33H42N4O3/c1-4-7-20-42-21-18-30(19-22-42)45-28-13-8-24(9-14-28)33(43)39-27-12-17-32(31(23-27)35(36,37)38)46-29-15-10-26(11-16-29)41-34(44)40-25(5-2)6-3;1-4-5-20-37-21-18-31(19-22-37)40-30-16-10-27(11-17-30)32(38)35-28-12-6-25(7-13-28)23-26-8-14-29(15-9-26)36-33(39)34-24(2)3/h8-17,23,25,30H,4-7,18-22H2,1-3H3,(H,39,43)(H2,40,41,44);6-17,24,31H,4-5,18-23H2,1-3H3,(H,35,38)(H2,34,36,39)
InChIKeySBBDAKDEOQLJAU-UHFFFAOYSA-N
MW1183.47 g/mol
LogP15.41
Rot. Bonds24

About 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide

4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide (PubChem CID 87714098) has the molecular formula C68H85F3N8O7 and a molecular weight of 1183.47 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide
PubChem CID87714098
Molecular FormulaC68H85F3N8O7
Molecular Weight1183.47 g/mol
Exact Mass1182.65
IUPAC Name4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)NC(C)C)cc4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C35H43F3N4O4.C33H42N4O3/c1-4-7-20-42-21-18-30(19-22-42)45-28-13-8-24(9-14-28)33(43)39-27-12-17-32(31(23-27)35(36,37)38)46-29-15-10-26(11-16-29)41-34(44)40-25(5-2)6-3;1-4-5-20-37-21-18-31(19-22-37)40-30-16-10-27(11-17-30)32(38)35-28-12-6-25(7-13-28)23-26-8-14-29(15-9-26)36-33(39)34-24(2)3/h8-17,23,25,30H,4-7,18-22H2,1-3H3,(H,39,43)(H2,40,41,44);6-17,24,31H,4-5,18-23H2,1-3H3,(H,35,38)(H2,34,36,39)
InChIKeySBBDAKDEOQLJAU-UHFFFAOYSA-N
XLogP15.41
TPSA174.63 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.47
LogP ≤ 515.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide?
The IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide (CID 87714098) is 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide is CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)NC(C)C)cc4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide?
The InChIKey is SBBDAKDEOQLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F3N4O4.C33H42N4O3/c1-4-7-20-42-21-18-30(19-22-42)45-28-13-8-24(9-14-28)33(43)39-27-12-17-32(31(23-27)35(36,37)38)46-29-15-10-26(11-16-29)41-34(44)40-25(5-2)6-3;1-4-5-20-37-21-18-31(19-22-37)40-30-16-10-27(11-17-30)32(38)35-28-12-6-25(7-13-28)23-26-8-14-29(15-9-26)36-33(39)34-24(2)3/h8-17,23,25,30H,4-7,18-22H2,1-3H3,(H,39,43)(H2,40,41,44);6-17,24,31H,4-5,18-23H2,1-3H3,(H,35,38)(H2,34,36,39).
What are the key properties of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide?
4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide has a molecular weight of 1183.47 g/mol, XLogP of 15.41, 24 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)phenoxy]-3-(trifluoromethyl)phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 87714098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).