1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide

C32H40Cl4N4O3 — CID 10168683

IUPAC1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3Cl)CCO2)CC1
InChIInChI=1S/C32H40Cl4N4O3/c1-37(2)30(42)31(40-14-4-3-5-15-40)11-16-38(17-12-31)18-13-32(23-9-10-25(33)27(35)21-23)22-39(19-20-43-32)29(41)24-7-6-8-26(34)28(24)36/h6-10,21H,3-5,11-20,22H2,1-2H3
InChIKeyMGIMTJDUCNLRFV-UHFFFAOYSA-N
MW670.51 g/mol
LogP6.47
Rot. Bonds7

About 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide

1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 10168683) has the molecular formula C32H40Cl4N4O3 and a molecular weight of 670.51 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID10168683
Molecular FormulaC32H40Cl4N4O3
Molecular Weight670.51 g/mol
Exact Mass668.19
IUPAC Name1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3Cl)CCO2)CC1
InChIInChI=1S/C32H40Cl4N4O3/c1-37(2)30(42)31(40-14-4-3-5-15-40)11-16-38(17-12-31)18-13-32(23-9-10-25(33)27(35)21-23)22-39(19-20-43-32)29(41)24-7-6-8-26(34)28(24)36/h6-10,21H,3-5,11-20,22H2,1-2H3
InChIKeyMGIMTJDUCNLRFV-UHFFFAOYSA-N
XLogP6.47
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.51
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide (CID 10168683) is 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide is CN(C)C(=O)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3Cl)CCO2)CC1.
What is the InChIKey of 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is MGIMTJDUCNLRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40Cl4N4O3/c1-37(2)30(42)31(40-14-4-3-5-15-40)11-16-38(17-12-31)18-13-32(23-9-10-25(33)27(35)21-23)22-39(19-20-43-32)29(41)24-7-6-8-26(34)28(24)36/h6-10,21H,3-5,11-20,22H2,1-2H3.
What are the key properties of 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 670.51 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dichlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 10168683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).