N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide

C37H45Cl2N3O4 — CID 67625885

IUPACN-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCN1CCCCC1OC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cccc(OC(C)C)c2)CCC1(NC(C)=O)c1ccccc1
InChIInChI=1S/C37H45Cl2N3O4/c1-5-41-20-10-9-16-35(41)46-37(30-17-18-32(38)33(39)24-30)25-42(34(44)23-28-12-11-15-31(22-28)45-26(2)3)21-19-36(37,40-27(4)43)29-13-7-6-8-14-29/h6-8,11-15,17-18,22,24,26,35H,5,9-10,16,19-21,23,25H2,1-4H3,(H,40,43)
InChIKeyVXOZRNCYHIAEJB-UHFFFAOYSA-N
MW666.69 g/mol
LogP7.33
Rot. Bonds10

About N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide

N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 67625885) has the molecular formula C37H45Cl2N3O4 and a molecular weight of 666.69 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID67625885
Molecular FormulaC37H45Cl2N3O4
Molecular Weight666.69 g/mol
Exact Mass665.28
IUPAC NameN-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCN1CCCCC1OC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cccc(OC(C)C)c2)CCC1(NC(C)=O)c1ccccc1
InChIInChI=1S/C37H45Cl2N3O4/c1-5-41-20-10-9-16-35(41)46-37(30-17-18-32(38)33(39)24-30)25-42(34(44)23-28-12-11-15-31(22-28)45-26(2)3)21-19-36(37,40-27(4)43)29-13-7-6-8-14-29/h6-8,11-15,17-18,22,24,26,35H,5,9-10,16,19-21,23,25H2,1-4H3,(H,40,43)
InChIKeyVXOZRNCYHIAEJB-UHFFFAOYSA-N
XLogP7.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.69
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide (CID 67625885) is N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide is CCN1CCCCC1OC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cccc(OC(C)C)c2)CCC1(NC(C)=O)c1ccccc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is VXOZRNCYHIAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45Cl2N3O4/c1-5-41-20-10-9-16-35(41)46-37(30-17-18-32(38)33(39)24-30)25-42(34(44)23-28-12-11-15-31(22-28)45-26(2)3)21-19-36(37,40-27(4)43)29-13-7-6-8-14-29/h6-8,11-15,17-18,22,24,26,35H,5,9-10,16,19-21,23,25H2,1-4H3,(H,40,43).
What are the key properties of N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide?
N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 666.69 g/mol, XLogP of 7.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-2-yl)oxy-4-phenyl-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 67625885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).