4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide

C34H40N2O3 — CID 10119005

IUPAC4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4O)CCCC5)CC3)cc2)cc1
InChIInChI=1S/C34H40N2O3/c1-24(37)25-8-10-26(11-9-25)27-12-14-30(15-13-27)34(39)35-20-4-5-21-36-22-18-29(19-23-36)32-17-16-28-6-2-3-7-31(28)33(32)38/h8-17,29,38H,2-7,18-23H2,1H3,(H,35,39)
InChIKeyMMGKEDDUHIHGPU-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.53
Rot. Bonds9

About 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide

4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide (PubChem CID 10119005) has the molecular formula C34H40N2O3 and a molecular weight of 524.71 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
PubChem CID10119005
Molecular FormulaC34H40N2O3
Molecular Weight524.71 g/mol
Exact Mass524.30
IUPAC Name4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4O)CCCC5)CC3)cc2)cc1
InChIInChI=1S/C34H40N2O3/c1-24(37)25-8-10-26(11-9-25)27-12-14-30(15-13-27)34(39)35-20-4-5-21-36-22-18-29(19-23-36)32-17-16-28-6-2-3-7-31(28)33(32)38/h8-17,29,38H,2-7,18-23H2,1H3,(H,35,39)
InChIKeyMMGKEDDUHIHGPU-UHFFFAOYSA-N
XLogP6.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide (CID 10119005) is 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide is CC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4O)CCCC5)CC3)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The InChIKey is MMGKEDDUHIHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O3/c1-24(37)25-8-10-26(11-9-25)27-12-14-30(15-13-27)34(39)35-20-4-5-21-36-22-18-29(19-23-36)32-17-16-28-6-2-3-7-31(28)33(32)38/h8-17,29,38H,2-7,18-23H2,1H3,(H,35,39).
What are the key properties of 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide has a molecular weight of 524.71 g/mol, XLogP of 6.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 10119005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).