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

C32H42Cl2N4O4 — CID 70931308

IUPAC1-[2-[1-(cyclopentanecarbonyl)-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(=O)C4CCCC4)CC3)CC2)c1
InChIInChI=1S/C32H42Cl2N4O4/c1-41-26-8-4-7-25(22-26)36-31(30(35)40)11-15-37(16-12-31)19-20-42-32(24-9-10-27(33)28(34)21-24)13-17-38(18-14-32)29(39)23-5-2-3-6-23/h4,7-10,21-23,36H,2-3,5-6,11-20H2,1H3,(H2,35,40)
InChIKeyYVTBKJUEKGAMHU-UHFFFAOYSA-N
MW617.62 g/mol
LogP5.46
Rot. Bonds10

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

1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide (PubChem CID 70931308) has the molecular formula C32H42Cl2N4O4 and a molecular weight of 617.62 g/mol. Its IUPAC name is 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide
PubChem CID70931308
Molecular FormulaC32H42Cl2N4O4
Molecular Weight617.62 g/mol
Exact Mass616.26
IUPAC Name1-[2-[1-(cyclopentanecarbonyl)-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(=O)C4CCCC4)CC3)CC2)c1
InChIInChI=1S/C32H42Cl2N4O4/c1-41-26-8-4-7-25(22-26)36-31(30(35)40)11-15-37(16-12-31)19-20-42-32(24-9-10-27(33)28(34)21-24)13-17-38(18-14-32)29(39)23-5-2-3-6-23/h4,7-10,21-23,36H,2-3,5-6,11-20H2,1H3,(H2,35,40)
InChIKeyYVTBKJUEKGAMHU-UHFFFAOYSA-N
XLogP5.46
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.62
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide (CID 70931308) is 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(cyclopentanecarbonyl)-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(=O)C4CCCC4)CC3)CC2)c1.
What is the InChIKey of 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
The InChIKey is YVTBKJUEKGAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42Cl2N4O4/c1-41-26-8-4-7-25(22-26)36-31(30(35)40)11-15-37(16-12-31)19-20-42-32(24-9-10-27(33)28(34)21-24)13-17-38(18-14-32)29(39)23-5-2-3-6-23/h4,7-10,21-23,36H,2-3,5-6,11-20H2,1H3,(H2,35,40).
What are the key properties of 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide?
1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide has a molecular weight of 617.62 g/mol, XLogP of 5.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(cyclopentanecarbonyl)-4-(3,4-dichlorophenyl)piperidin-4-yl]oxyethyl]-4-(3-methoxyanilino)piperidine-4-carboxamide is sourced from PubChem (CID 70931308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).