N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide

C29H33ClFN3O2 — CID 139792700

IUPACN-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide
SMILESCC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C29H33ClFN3O2/c1-22(35)33-21-28(27-5-2-3-17-32-27,23-8-12-26(31)13-9-23)14-4-18-34-19-15-29(36,16-20-34)24-6-10-25(30)11-7-24/h2-3,5-13,17,36H,4,14-16,18-21H2,1H3,(H,33,35)
InChIKeyUTISYGPVMKEURZ-UHFFFAOYSA-N
MW510.05 g/mol
LogP5.06
Rot. Bonds9

About N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide

N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide (PubChem CID 139792700) has the molecular formula C29H33ClFN3O2 and a molecular weight of 510.05 g/mol. Its IUPAC name is N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide
PubChem CID139792700
Molecular FormulaC29H33ClFN3O2
Molecular Weight510.05 g/mol
Exact Mass509.22
IUPAC NameN-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide
SMILESCC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C29H33ClFN3O2/c1-22(35)33-21-28(27-5-2-3-17-32-27,23-8-12-26(31)13-9-23)14-4-18-34-19-15-29(36,16-20-34)24-6-10-25(30)11-7-24/h2-3,5-13,17,36H,4,14-16,18-21H2,1H3,(H,33,35)
InChIKeyUTISYGPVMKEURZ-UHFFFAOYSA-N
XLogP5.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.05
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide?
The IUPAC name of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide (CID 139792700) is N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide.
What is the SMILES notation for N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide?
The canonical SMILES for N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide is CC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide?
The InChIKey is UTISYGPVMKEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClFN3O2/c1-22(35)33-21-28(27-5-2-3-17-32-27,23-8-12-26(31)13-9-23)14-4-18-34-19-15-29(36,16-20-34)24-6-10-25(30)11-7-24/h2-3,5-13,17,36H,4,14-16,18-21H2,1H3,(H,33,35).
What are the key properties of N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide?
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide has a molecular weight of 510.05 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-fluorophenyl)-2-pyridin-2-ylpentyl]acetamide is sourced from PubChem (CID 139792700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).