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

C32H37ClN2O2 — CID 44532738

IUPAC4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
SMILESO=C(NCCCCN1CCC(c2ccc3c(c2O)CCCC3)CC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H37ClN2O2/c33-28-14-11-24(12-15-28)23-7-9-27(10-8-23)32(37)34-19-3-4-20-35-21-17-26(18-22-35)30-16-13-25-5-1-2-6-29(25)31(30)36/h7-16,26,36H,1-6,17-22H2,(H,34,37)
InChIKeyQMTHJWZCYYBKPO-UHFFFAOYSA-N
MW517.11 g/mol
LogP6.98
Rot. Bonds8

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

4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide (PubChem CID 44532738) has the molecular formula C32H37ClN2O2 and a molecular weight of 517.11 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
PubChem CID44532738
Molecular FormulaC32H37ClN2O2
Molecular Weight517.11 g/mol
Exact Mass516.25
IUPAC Name4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
SMILESO=C(NCCCCN1CCC(c2ccc3c(c2O)CCCC3)CC1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H37ClN2O2/c33-28-14-11-24(12-15-28)23-7-9-27(10-8-23)32(37)34-19-3-4-20-35-21-17-26(18-22-35)30-16-13-25-5-1-2-6-29(25)31(30)36/h7-16,26,36H,1-6,17-22H2,(H,34,37)
InChIKeyQMTHJWZCYYBKPO-UHFFFAOYSA-N
XLogP6.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.11
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide (CID 44532738) is 4-(4-chlorophenyl)-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-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide is O=C(NCCCCN1CCC(c2ccc3c(c2O)CCCC3)CC1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
The InChIKey is QMTHJWZCYYBKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN2O2/c33-28-14-11-24(12-15-28)23-7-9-27(10-8-23)32(37)34-19-3-4-20-35-21-17-26(18-22-35)30-16-13-25-5-1-2-6-29(25)31(30)36/h7-16,26,36H,1-6,17-22H2,(H,34,37).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide?
4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide has a molecular weight of 517.11 g/mol, XLogP of 6.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[4-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 44532738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).