2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide

C63H64F7N5O4 — CID 162133765

IUPAC2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
SMILESCC(CC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(OC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C32H33F5N2O2.C31H31F2N3O2/c1-21(30(40)38-26-11-12-28(33)29(34)18-26)19-31(13-15-39(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-27(17-24)41-32(35,36)37;1-21(30(37)35-27-11-12-28(32)29(33)18-27)38-31(13-15-36(16-14-31)20-22-5-6-22)26-9-7-24(8-10-26)25-4-2-3-23(17-25)19-34/h2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,38,40);2-4,7-12,17-18,21-22H,5-6,13-16,20H2,1H3,(H,35,37)
InChIKeyZIZQHLFYQJEGHW-UHFFFAOYSA-N
MW1088.22 g/mol
LogP14.19
Rot. Bonds17

About 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide

2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide (PubChem CID 162133765) has the molecular formula C63H64F7N5O4 and a molecular weight of 1088.22 g/mol. Its IUPAC name is 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
PubChem CID162133765
Molecular FormulaC63H64F7N5O4
Molecular Weight1088.22 g/mol
Exact Mass1087.48
IUPAC Name2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
SMILESCC(CC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(OC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C32H33F5N2O2.C31H31F2N3O2/c1-21(30(40)38-26-11-12-28(33)29(34)18-26)19-31(13-15-39(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-27(17-24)41-32(35,36)37;1-21(30(37)35-27-11-12-28(32)29(33)18-27)38-31(13-15-36(16-14-31)20-22-5-6-22)26-9-7-24(8-10-26)25-4-2-3-23(17-25)19-34/h2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,38,40);2-4,7-12,17-18,21-22H,5-6,13-16,20H2,1H3,(H,35,37)
InChIKeyZIZQHLFYQJEGHW-UHFFFAOYSA-N
XLogP14.19
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.22
LogP ≤ 514.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide with MolForge

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Related Compounds

3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
CID 161420630
1-cyano-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2,2-difluorocyclopropane-1-carboxamide
CID 161812805
cis-(1S,2S)-N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-2-propylcyclopropane-1-carboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-fluorocyclopropane-1-carboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-4-fluorophenyl]cyclopropanecarboxamide
CID 159848519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide (CID 162133765) is 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide is CC(CC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(OC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
The InChIKey is ZIZQHLFYQJEGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F5N2O2.C31H31F2N3O2/c1-21(30(40)38-26-11-12-28(33)29(34)18-26)19-31(13-15-39(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-27(17-24)41-32(35,36)37;1-21(30(37)35-27-11-12-28(32)29(33)18-27)38-31(13-15-36(16-14-31)20-22-5-6-22)26-9-7-24(8-10-26)25-4-2-3-23(17-25)19-34/h2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,38,40);2-4,7-12,17-18,21-22H,5-6,13-16,20H2,1H3,(H,35,37).
What are the key properties of 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide has a molecular weight of 1088.22 g/mol, XLogP of 14.19, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 162133765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).