N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide

C63H78F6N10O8 — CID 157106731

IUPACN-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1.O=C(Nc1ccc(F)c(F)c1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1
InChIInChI=1S/C32H39F4N5O4.C31H39F2N5O4/c33-23-15-22(32(34,35)36)16-24(17-23)38-30(43)41-9-5-31(44,6-10-41)29(42)20-39-7-3-21(4-8-39)27-19-37-28-2-1-25(18-26(27)28)40-11-13-45-14-12-40;32-26-3-1-22(17-27(26)33)35-30(40)38-11-7-31(41,8-12-38)29(39)20-36-9-5-21(6-10-36)25-19-34-28-4-2-23(18-24(25)28)37-13-15-42-16-14-37/h1-2,15-19,21,29,37,42,44H,3-14,20H2,(H,38,43);1-4,17-19,21,29,34,39,41H,5-16,20H2,(H,35,40)
InChIKeyAGJPZAIGNCXBJJ-UHFFFAOYSA-N
MW1217.37 g/mol
LogP8.64
Rot. Bonds12

About N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide

N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 157106731) has the molecular formula C63H78F6N10O8 and a molecular weight of 1217.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID157106731
Molecular FormulaC63H78F6N10O8
Molecular Weight1217.37 g/mol
Exact Mass1216.59
IUPAC NameN-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1.O=C(Nc1ccc(F)c(F)c1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1
InChIInChI=1S/C32H39F4N5O4.C31H39F2N5O4/c33-23-15-22(32(34,35)36)16-24(17-23)38-30(43)41-9-5-31(44,6-10-41)29(42)20-39-7-3-21(4-8-39)27-19-37-28-2-1-25(18-26(27)28)40-11-13-45-14-12-40;32-26-3-1-22(17-27(26)33)35-30(40)38-11-7-31(41,8-12-38)29(39)20-36-9-5-21(6-10-36)25-19-34-28-4-2-23(18-24(25)28)37-13-15-42-16-14-37/h1-2,15-19,21,29,37,42,44H,3-14,20H2,(H,38,43);1-4,17-19,21,29,34,39,41H,5-16,20H2,(H,35,40)
InChIKeyAGJPZAIGNCXBJJ-UHFFFAOYSA-N
XLogP8.64
TPSA208.60 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001217.37
LogP ≤ 58.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide (CID 157106731) is N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide is O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1.O=C(Nc1ccc(F)c(F)c1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is AGJPZAIGNCXBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F4N5O4.C31H39F2N5O4/c33-23-15-22(32(34,35)36)16-24(17-23)38-30(43)41-9-5-31(44,6-10-41)29(42)20-39-7-3-21(4-8-39)27-19-37-28-2-1-25(18-26(27)28)40-11-13-45-14-12-40;32-26-3-1-22(17-27(26)33)35-30(40)38-11-7-31(41,8-12-38)29(39)20-36-9-5-21(6-10-36)25-19-34-28-4-2-23(18-24(25)28)37-13-15-42-16-14-37/h1-2,15-19,21,29,37,42,44H,3-14,20H2,(H,38,43);1-4,17-19,21,29,34,39,41H,5-16,20H2,(H,35,40).
What are the key properties of N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide?
N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 1217.37 g/mol, XLogP of 8.64, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 157106731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).