2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C33H43F3N4O4 — CID 129197302

IUPAC2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCCOc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C5CC5)n4)CC3)CC2)C(F)(F)F)c1
InChIInChI=1S/C33H43F3N4O4/c1-4-44-26-7-5-6-25(21-26)32(43,33(34,35)36)31(42)40-18-14-23(15-19-40)20-22-12-16-39(17-13-22)28-11-10-27(30(41)38(2)3)29(37-28)24-8-9-24/h5-7,10-11,21-24,43H,4,8-9,12-20H2,1-3H3/t32-/m1/s1
InChIKeyMRNKFZXSJRBTCD-JGCGQSQUSA-N
MW616.73 g/mol
LogP5.35
Rot. Bonds9

About 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 129197302) has the molecular formula C33H43F3N4O4 and a molecular weight of 616.73 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID129197302
Molecular FormulaC33H43F3N4O4
Molecular Weight616.73 g/mol
Exact Mass616.32
IUPAC Name2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCCOc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C5CC5)n4)CC3)CC2)C(F)(F)F)c1
InChIInChI=1S/C33H43F3N4O4/c1-4-44-26-7-5-6-25(21-26)32(43,33(34,35)36)31(42)40-18-14-23(15-19-40)20-22-12-16-39(17-13-22)28-11-10-27(30(41)38(2)3)29(37-28)24-8-9-24/h5-7,10-11,21-24,43H,4,8-9,12-20H2,1-3H3/t32-/m1/s1
InChIKeyMRNKFZXSJRBTCD-JGCGQSQUSA-N
XLogP5.35
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.73
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 129197302) is 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CCOc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C5CC5)n4)CC3)CC2)C(F)(F)F)c1.
What is the InChIKey of 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is MRNKFZXSJRBTCD-JGCGQSQUSA-N. The full InChI is InChI=1S/C33H43F3N4O4/c1-4-44-26-7-5-6-25(21-26)32(43,33(34,35)36)31(42)40-18-14-23(15-19-40)20-22-12-16-39(17-13-22)28-11-10-27(30(41)38(2)3)29(37-28)24-8-9-24/h5-7,10-11,21-24,43H,4,8-9,12-20H2,1-3H3/t32-/m1/s1.
What are the key properties of 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 616.73 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-[[1-[(2R)-2-(3-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 129197302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).