N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

C60H78F6N8O5 — CID 142899247

IUPACN-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccc(C(F)(F)F)cc3)CC2C(C)(C)C)CC1.CC(=O)N1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)CC2C(C)(C)C)CC1
InChIInChI=1S/C30H39F3N4O3.C30H39F3N4O2/c1-21(38)35-16-14-24(15-17-35)34-28(39)37-19-18-36(20-26(37)29(2,3)4)27(22-8-6-5-7-9-22)23-10-12-25(13-11-23)40-30(31,32)33;1-21(38)35-16-14-25(15-17-35)34-28(39)37-19-18-36(20-26(37)29(2,3)4)27(22-8-6-5-7-9-22)23-10-12-24(13-11-23)30(31,32)33/h5-13,24,26-27H,14-20H2,1-4H3,(H,34,39);5-13,25-27H,14-20H2,1-4H3,(H,34,39)
InChIKeyWDNRGFYEGXMBBU-UHFFFAOYSA-N
MW1105.32 g/mol
LogP10.98
Rot. Bonds9

About N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 142899247) has the molecular formula C60H78F6N8O5 and a molecular weight of 1105.32 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID142899247
Molecular FormulaC60H78F6N8O5
Molecular Weight1105.32 g/mol
Exact Mass1104.60
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccc(C(F)(F)F)cc3)CC2C(C)(C)C)CC1.CC(=O)N1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)CC2C(C)(C)C)CC1
InChIInChI=1S/C30H39F3N4O3.C30H39F3N4O2/c1-21(38)35-16-14-24(15-17-35)34-28(39)37-19-18-36(20-26(37)29(2,3)4)27(22-8-6-5-7-9-22)23-10-12-25(13-11-23)40-30(31,32)33;1-21(38)35-16-14-25(15-17-35)34-28(39)37-19-18-36(20-26(37)29(2,3)4)27(22-8-6-5-7-9-22)23-10-12-24(13-11-23)30(31,32)33/h5-13,24,26-27H,14-20H2,1-4H3,(H,34,39);5-13,25-27H,14-20H2,1-4H3,(H,34,39)
InChIKeyWDNRGFYEGXMBBU-UHFFFAOYSA-N
XLogP10.98
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.32
LogP ≤ 510.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

US20240067645, Example 39
CID 171392659
(2S)-N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 10030706
4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 10144316
N-benzhydryl-4-[(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 11541346
4-[2-[2-Tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 20794823
5-[(4-Fluorophenyl)methyl]-9-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]-2,4,9-triazaspiro[5.5]undecan-3-one
CID 22386686
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 23536841
Tert-butyl 4-[[2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 23536847
tert-butyl 4-[[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 58665832
4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 60009095
1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 60009190
(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-N-piperidin-4-ylpiperazine-1-carboxamide
CID 70878894

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide (CID 142899247) is N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is CC(=O)N1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccc(C(F)(F)F)cc3)CC2C(C)(C)C)CC1.CC(=O)N1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)CC2C(C)(C)C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is WDNRGFYEGXMBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F3N4O3.C30H39F3N4O2/c1-21(38)35-16-14-24(15-17-35)34-28(39)37-19-18-36(20-26(37)29(2,3)4)27(22-8-6-5-7-9-22)23-10-12-25(13-11-23)40-30(31,32)33;1-21(38)35-16-14-25(15-17-35)34-28(39)37-19-18-36(20-26(37)29(2,3)4)27(22-8-6-5-7-9-22)23-10-12-24(13-11-23)30(31,32)33/h5-13,24,26-27H,14-20H2,1-4H3,(H,34,39);5-13,25-27H,14-20H2,1-4H3,(H,34,39).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 1105.32 g/mol, XLogP of 10.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide;N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 142899247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).