N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide

C33H37N3O3 — CID 66864218

IUPACN-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1
InChIInChI=1S/C33H37N3O3/c1-23(37)36-18-15-29(16-19-36)35-32(38)25-6-9-26(10-7-25)33(21-24-5-8-28(33)20-24)27-11-13-31(14-12-27)39-22-30-4-2-3-17-34-30/h2-4,6-7,9-14,17,24,28-29H,5,8,15-16,18-22H2,1H3,(H,35,38)
InChIKeyNYFOIFNZCWDNMF-UHFFFAOYSA-N
MW523.68 g/mol
LogP5.51
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide

N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 66864218) has the molecular formula C33H37N3O3 and a molecular weight of 523.68 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID66864218
Molecular FormulaC33H37N3O3
Molecular Weight523.68 g/mol
Exact Mass523.28
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1
InChIInChI=1S/C33H37N3O3/c1-23(37)36-18-15-29(16-19-36)35-32(38)25-6-9-26(10-7-25)33(21-24-5-8-28(33)20-24)27-11-13-31(14-12-27)39-22-30-4-2-3-17-34-30/h2-4,6-7,9-14,17,24,28-29H,5,8,15-16,18-22H2,1H3,(H,35,38)
InChIKeyNYFOIFNZCWDNMF-UHFFFAOYSA-N
XLogP5.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (CID 66864218) is N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is CC(=O)N1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is NYFOIFNZCWDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O3/c1-23(37)36-18-15-29(16-19-36)35-32(38)25-6-9-26(10-7-25)33(21-24-5-8-28(33)20-24)27-11-13-31(14-12-27)39-22-30-4-2-3-17-34-30/h2-4,6-7,9-14,17,24,28-29H,5,8,15-16,18-22H2,1H3,(H,35,38).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 523.68 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 66864218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).