N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide

C31H33Cl2N5O2 — CID 18930314

IUPACN-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC(c2ccc(Cl)c(Cl)c2)C(O)c2cnnn2-c2ccccc2)CC1
InChIInChI=1S/C31H33Cl2N5O2/c1-22(39)35-31(24-8-4-2-5-9-24)15-18-37(19-16-31)17-14-26(23-12-13-27(32)28(33)20-23)30(40)29-21-34-36-38(29)25-10-6-3-7-11-25/h2-13,20-21,26,30,40H,14-19H2,1H3,(H,35,39)
InChIKeyICBDDFCIXQHXLP-UHFFFAOYSA-N
MW578.54 g/mol
LogP5.91
Rot. Bonds9

About N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide

N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 18930314) has the molecular formula C31H33Cl2N5O2 and a molecular weight of 578.54 g/mol. Its IUPAC name is N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID18930314
Molecular FormulaC31H33Cl2N5O2
Molecular Weight578.54 g/mol
Exact Mass577.20
IUPAC NameN-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC(c2ccc(Cl)c(Cl)c2)C(O)c2cnnn2-c2ccccc2)CC1
InChIInChI=1S/C31H33Cl2N5O2/c1-22(39)35-31(24-8-4-2-5-9-24)15-18-37(19-16-31)17-14-26(23-12-13-27(32)28(33)20-23)30(40)29-21-34-36-38(29)25-10-6-3-7-11-25/h2-13,20-21,26,30,40H,14-19H2,1H3,(H,35,39)
InChIKeyICBDDFCIXQHXLP-UHFFFAOYSA-N
XLogP5.91
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.54
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide (CID 18930314) is N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(CCC(c2ccc(Cl)c(Cl)c2)C(O)c2cnnn2-c2ccccc2)CC1.
What is the InChIKey of N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is ICBDDFCIXQHXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33Cl2N5O2/c1-22(39)35-31(24-8-4-2-5-9-24)15-18-37(19-16-31)17-14-26(23-12-13-27(32)28(33)20-23)30(40)29-21-34-36-38(29)25-10-6-3-7-11-25/h2-13,20-21,26,30,40H,14-19H2,1H3,(H,35,39).
What are the key properties of N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 578.54 g/mol, XLogP of 5.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 18930314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).