4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide

C74H99FN8O11 — CID 87714086

IUPAC4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)N(CCOC)c3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2C)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)cc3F)cc2OC)CC1
InChIInChI=1S/C39H54N4O6.C35H45FN4O5/c1-7-10-21-42-22-19-34(20-23-42)48-35-17-11-29(26-28(35)4)38(44)43(24-25-46-5)32-13-15-33(16-14-32)49-36-18-12-31(27-37(36)47-6)41-39(45)40-30(8-2)9-3;1-5-8-19-40-20-17-28(18-21-40)45-32-16-9-24(22-33(32)43-4)34(41)39-31-15-14-29(23-30(31)36)44-27-12-10-26(11-13-27)38-35(42)37-25(6-2)7-3/h11-18,26-27,30,34H,7-10,19-25H2,1-6H3,(H2,40,41,45);9-16,22-23,25,28H,5-8,17-21H2,1-4H3,(H,39,41)(H2,37,38,42)
InChIKeyYKEUWZVZSHORSW-UHFFFAOYSA-N
MW1295.65 g/mol
LogP15.87
Rot. Bonds31

About 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide

4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide (PubChem CID 87714086) has the molecular formula C74H99FN8O11 and a molecular weight of 1295.65 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide
PubChem CID87714086
Molecular FormulaC74H99FN8O11
Molecular Weight1295.65 g/mol
Exact Mass1294.74
IUPAC Name4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)N(CCOC)c3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2C)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)cc3F)cc2OC)CC1
InChIInChI=1S/C39H54N4O6.C35H45FN4O5/c1-7-10-21-42-22-19-34(20-23-42)48-35-17-11-29(26-28(35)4)38(44)43(24-25-46-5)32-13-15-33(16-14-32)49-36-18-12-31(27-37(36)47-6)41-39(45)40-30(8-2)9-3;1-5-8-19-40-20-17-28(18-21-40)45-32-16-9-24(22-33(32)43-4)34(41)39-31-15-14-29(23-30(31)36)44-27-12-10-26(11-13-27)38-35(42)37-25(6-2)7-3/h11-18,26-27,30,34H,7-10,19-25H2,1-6H3,(H2,40,41,45);9-16,22-23,25,28H,5-8,17-21H2,1-4H3,(H,39,41)(H2,37,38,42)
InChIKeyYKEUWZVZSHORSW-UHFFFAOYSA-N
XLogP15.87
TPSA202.76 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.65
LogP ≤ 515.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide?
The IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide (CID 87714086) is 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide is CCCCN1CCC(Oc2ccc(C(=O)N(CCOC)c3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2C)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)cc3F)cc2OC)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide?
The InChIKey is YKEUWZVZSHORSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H54N4O6.C35H45FN4O5/c1-7-10-21-42-22-19-34(20-23-42)48-35-17-11-29(26-28(35)4)38(44)43(24-25-46-5)32-13-15-33(16-14-32)49-36-18-12-31(27-37(36)47-6)41-39(45)40-30(8-2)9-3;1-5-8-19-40-20-17-28(18-21-40)45-32-16-9-24(22-33(32)43-4)34(41)39-31-15-14-29(23-30(31)36)44-27-12-10-26(11-13-27)38-35(42)37-25(6-2)7-3/h11-18,26-27,30,34H,7-10,19-25H2,1-6H3,(H2,40,41,45);9-16,22-23,25,28H,5-8,17-21H2,1-4H3,(H,39,41)(H2,37,38,42).
What are the key properties of 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide?
4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide has a molecular weight of 1295.65 g/mol, XLogP of 15.87, 31 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methoxybenzamide;4-(1-butylpiperidin-4-yl)oxy-N-(2-methoxyethyl)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide is sourced from PubChem (CID 87714086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).