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

C32H37N3O2 — CID 66863811

IUPACN-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCN1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1
InChIInChI=1S/C32H37N3O2/c1-35-18-15-28(16-19-35)34-31(36)24-6-9-25(10-7-24)32(21-23-5-8-27(32)20-23)26-11-13-30(14-12-26)37-22-29-4-2-3-17-33-29/h2-4,6-7,9-14,17,23,27-28H,5,8,15-16,18-22H2,1H3,(H,34,36)
InChIKeyBZUUTYISMJDDAH-UHFFFAOYSA-N
MW495.67 g/mol
LogP5.59
Rot. Bonds7

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

N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 66863811) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID66863811
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCN1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1
InChIInChI=1S/C32H37N3O2/c1-35-18-15-28(16-19-35)34-31(36)24-6-9-25(10-7-24)32(21-23-5-8-27(32)20-23)26-11-13-30(14-12-26)37-22-29-4-2-3-17-33-29/h2-4,6-7,9-14,17,23,27-28H,5,8,15-16,18-22H2,1H3,(H,34,36)
InChIKeyBZUUTYISMJDDAH-UHFFFAOYSA-N
XLogP5.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide (CID 66863811) is N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is CN1CCC(NC(=O)c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CC4CCC3C4)cc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is BZUUTYISMJDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-35-18-15-28(16-19-35)34-31(36)24-6-9-25(10-7-24)32(21-23-5-8-27(32)20-23)26-11-13-30(14-12-26)37-22-29-4-2-3-17-33-29/h2-4,6-7,9-14,17,23,27-28H,5,8,15-16,18-22H2,1H3,(H,34,36).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide?
N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 495.67 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-[2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 66863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).