methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C55H66F6N10O2 — CID 157099729

IUPACmethane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESC.C.CN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C27H30F3N5O.C26H28F3N5O.2CH4/c1-35-14-12-20(13-15-35)19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-18-4-2-3-5-21(18)16-25(31)36;27-26(28,29)22-16-32-25(33-21-8-5-18(6-9-21)19-11-13-31-14-12-19)34-23(22)10-7-17-3-1-2-4-20(17)15-24(30)35;;/h2-7,9-10,17,20H,8,11-16H2,1H3,(H2,31,36)(H,32,33,34);1-6,8-9,16,19,31H,7,10-15H2,(H2,30,35)(H,32,33,34);2*1H4
InChIKeyAFPXRLVYGHYPNN-UHFFFAOYSA-N
MW1013.19 g/mol
LogP10.65
Rot. Bonds16

About methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 157099729) has the molecular formula C55H66F6N10O2 and a molecular weight of 1013.19 g/mol. Its IUPAC name is methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Namemethane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID157099729
Molecular FormulaC55H66F6N10O2
Molecular Weight1013.19 g/mol
Exact Mass1012.53
IUPAC Namemethane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESC.C.CN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C27H30F3N5O.C26H28F3N5O.2CH4/c1-35-14-12-20(13-15-35)19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-18-4-2-3-5-21(18)16-25(31)36;27-26(28,29)22-16-32-25(33-21-8-5-18(6-9-21)19-11-13-31-14-12-19)34-23(22)10-7-17-3-1-2-4-20(17)15-24(30)35;;/h2-7,9-10,17,20H,8,11-16H2,1H3,(H2,31,36)(H,32,33,34);1-6,8-9,16,19,31H,7,10-15H2,(H2,30,35)(H,32,33,34);2*1H4
InChIKeyAFPXRLVYGHYPNN-UHFFFAOYSA-N
XLogP10.65
TPSA177.07 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.19
LogP ≤ 510.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 157099729) is methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is C.C.CN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is AFPXRLVYGHYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O.C26H28F3N5O.2CH4/c1-35-14-12-20(13-15-35)19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-18-4-2-3-5-21(18)16-25(31)36;27-26(28,29)22-16-32-25(33-21-8-5-18(6-9-21)19-11-13-31-14-12-19)34-23(22)10-7-17-3-1-2-4-20(17)15-24(30)35;;/h2-7,9-10,17,20H,8,11-16H2,1H3,(H2,31,36)(H,32,33,34);1-6,8-9,16,19,31H,7,10-15H2,(H2,30,35)(H,32,33,34);2*1H4.
What are the key properties of methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 1013.19 g/mol, XLogP of 10.65, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 157099729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).