6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide

C33H35F3N4O5 — CID 66710324

IUPAC6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=C(C=C5)OC(F)(F)F
InChIInChI=1S/C33H35F3N4O5/c1-44-27-9-4-23(5-10-27)30(41)24-12-18-40(19-13-24)32(43)29-11-6-25(20-37-29)31(42)38-26-14-16-39(17-15-26)21-22-2-7-28(8-3-22)45-33(34,35)36/h2-11,20,24,26H,12-19,21H2,1H3,(H,38,42)
InChIKeyZWIGVNWZHBPXNS-UHFFFAOYSA-N
MW624.60 g/mol
LogP5.00
Rot. Bonds9

About 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide

6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide (PubChem CID 66710324) has the molecular formula C33H35F3N4O5 and a molecular weight of 624.60 g/mol. Its IUPAC name is 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
PubChem CID66710324
Molecular FormulaC33H35F3N4O5
Molecular Weight624.60 g/mol
Exact Mass624.26
IUPAC Name6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=C(C=C5)OC(F)(F)F
InChIInChI=1S/C33H35F3N4O5/c1-44-27-9-4-23(5-10-27)30(41)24-12-18-40(19-13-24)32(43)29-11-6-25(20-37-29)31(42)38-26-14-16-39(17-15-26)21-22-2-7-28(8-3-22)45-33(34,35)36/h2-11,20,24,26H,12-19,21H2,1H3,(H,38,42)
InChIKeyZWIGVNWZHBPXNS-UHFFFAOYSA-N
XLogP5.00
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity983

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide?
The IUPAC name of 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide (CID 66710324) is 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide?
The canonical SMILES for 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide is COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=C(C=C5)OC(F)(F)F.
What is the InChIKey of 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide?
The InChIKey is ZWIGVNWZHBPXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N4O5/c1-44-27-9-4-23(5-10-27)30(41)24-12-18-40(19-13-24)32(43)29-11-6-25(20-37-29)31(42)38-26-14-16-39(17-15-26)21-22-2-7-28(8-3-22)45-33(34,35)36/h2-11,20,24,26H,12-19,21H2,1H3,(H,38,42).
What are the key properties of 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide?
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide has a molecular weight of 624.60 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide is sourced from PubChem (CID 66710324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).