1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide

C28H36Cl2N4O4 — CID 70931310

IUPAC1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide
SMILESCOc1cccc(NC2(C(N)=O)CCN(CCOC3(c4ccc(Cl)c(Cl)c4)CCN(C(C)=O)CC3)CC2)c1
InChIInChI=1S/C28H36Cl2N4O4/c1-20(35)34-14-10-28(11-15-34,21-6-7-24(29)25(30)18-21)38-17-16-33-12-8-27(9-13-33,26(31)36)32-22-4-3-5-23(19-22)37-2/h3-7,18-19,32H,8-17H2,1-2H3,(H2,31,36)
InChIKeySDSAUWNPTMJPMG-UHFFFAOYSA-N
MW563.53 g/mol
LogP4.29
Rot. Bonds9

About 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide

1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide (PubChem CID 70931310) has the molecular formula C28H36Cl2N4O4 and a molecular weight of 563.53 g/mol. Its IUPAC name is 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide
PubChem CID70931310
Molecular FormulaC28H36Cl2N4O4
Molecular Weight563.53 g/mol
Exact Mass562.21
IUPAC Name1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide
SMILESCOc1cccc(NC2(C(N)=O)CCN(CCOC3(c4ccc(Cl)c(Cl)c4)CCN(C(C)=O)CC3)CC2)c1
InChIInChI=1S/C28H36Cl2N4O4/c1-20(35)34-14-10-28(11-15-34,21-6-7-24(29)25(30)18-21)38-17-16-33-12-8-27(9-13-33,26(31)36)32-22-4-3-5-23(19-22)37-2/h3-7,18-19,32H,8-17H2,1-2H3,(H2,31,36)
InChIKeySDSAUWNPTMJPMG-UHFFFAOYSA-N
XLogP4.29
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide (CID 70931310) is 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide is COc1cccc(NC2(C(N)=O)CCN(CCOC3(c4ccc(Cl)c(Cl)c4)CCN(C(C)=O)CC3)CC2)c1.
What is the InChIKey of 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
The InChIKey is SDSAUWNPTMJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N4O4/c1-20(35)34-14-10-28(11-15-34,21-6-7-24(29)25(30)18-21)38-17-16-33-12-8-27(9-13-33,26(31)36)32-22-4-3-5-23(19-22)37-2/h3-7,18-19,32H,8-17H2,1-2H3,(H2,31,36).
What are the key properties of 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide has a molecular weight of 563.53 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-acetyl-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide is sourced from PubChem (CID 70931310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).