N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate

C65H88F6N10O6 — CID 158064759

IUPACN-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(N)CC2)c1.Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C35H48F3N5O4.C30H40F3N5O2/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-19-3-4-23(36-28(39)21-5-10-35-26(16-21)30(31,32)33)18-24(19)22-15-25(20-6-13-40-14-7-20)37-27(17-22)38-11-8-29(2,34)9-12-38/h6-7,18,20-21,23-24,29,39H,8-17,19H2,1-5H3,(H,40,44)(H,42,45);3-4,15,17-18,20-21,26,35H,5-14,16,34H2,1-2H3,(H,36,39)
InChIKeyFLBXBKDEQCVODY-UHFFFAOYSA-N
MW1219.47 g/mol
LogP11.84
Rot. Bonds11

About N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate

N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 158064759) has the molecular formula C65H88F6N10O6 and a molecular weight of 1219.47 g/mol. Its IUPAC name is N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound NameN-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID158064759
Molecular FormulaC65H88F6N10O6
Molecular Weight1219.47 g/mol
Exact Mass1218.68
IUPAC NameN-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(N)CC2)c1.Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C35H48F3N5O4.C30H40F3N5O2/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-19-3-4-23(36-28(39)21-5-10-35-26(16-21)30(31,32)33)18-24(19)22-15-25(20-6-13-40-14-7-20)37-27(17-22)38-11-8-29(2,34)9-12-38/h6-7,18,20-21,23-24,29,39H,8-17,19H2,1-5H3,(H,40,44)(H,42,45);3-4,15,17-18,20-21,26,35H,5-14,16,34H2,1-2H3,(H,36,39)
InChIKeyFLBXBKDEQCVODY-UHFFFAOYSA-N
XLogP11.84
TPSA197.33 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001219.47
LogP ≤ 511.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3S)-1-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 157299416
N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 134609566
tert-butyl N-[1-[2-[4-[2-methyl-5-(methylamino)phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate
CID 167009557
tert-butyl N-[(3S)-1-[6-amino-4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 159298366
N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate
CID 165089174
N-[4-methyl-3-(2-morpholin-4-yl-6-pyrrolidin-3-yl-4-pyridinyl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709635
N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2R)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118887152
tert-butyl 5-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162764878
tert-butyl N-[1-(6-bromo-4-methyl-2-pyridinyl)-4-methylpiperidin-4-yl]carbamate
CID 175043302
6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
2-cyclopropyl-N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 134380057
[(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate
CID 175298090

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate (CID 158064759) is N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate is Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(N)CC2)c1.Cc1ccc(NC(=O)C2CCNC(C(F)(F)F)C2)cc1-c1cc(C2CCOCC2)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is FLBXBKDEQCVODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48F3N5O4.C30H40F3N5O2/c1-22-6-7-26(40-31(44)24-8-13-39-29(19-24)35(36,37)38)21-27(22)25-18-28(23-9-16-46-17-10-23)41-30(20-25)43-14-11-34(5,12-15-43)42-32(45)47-33(2,3)4;1-19-3-4-23(36-28(39)21-5-10-35-26(16-21)30(31,32)33)18-24(19)22-15-25(20-6-13-40-14-7-20)37-27(17-22)38-11-8-29(2,34)9-12-38/h6-7,18,20-21,23-24,29,39H,8-17,19H2,1-5H3,(H,40,44)(H,42,45);3-4,15,17-18,20-21,26,35H,5-14,16,34H2,1-2H3,(H,36,39).
What are the key properties of N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate?
N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 1219.47 g/mol, XLogP of 11.84, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-4-methylpiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)piperidine-4-carboxamide;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 158064759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).