N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide

C17H22Cl2N4O3 — CID 1094960

IUPACN-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N4O3/c18-13-1-2-14(19)15(11-13)20-16(24)12-21-3-5-22(6-4-21)17(25)23-7-9-26-10-8-23/h1-2,11H,3-10,12H2,(H,20,24)
InChIKeyQNKGBVOZDPUARC-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.00
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 1094960) has the molecular formula C17H22Cl2N4O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID1094960
Molecular FormulaC17H22Cl2N4O3
Molecular Weight401.29 g/mol
Exact Mass400.11
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N4O3/c18-13-1-2-14(19)15(11-13)20-16(24)12-21-3-5-22(6-4-21)17(25)23-7-9-26-10-8-23/h1-2,11H,3-10,12H2,(H,20,24)
InChIKeyQNKGBVOZDPUARC-UHFFFAOYSA-N
XLogP2.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide (CID 1094960) is N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is QNKGBVOZDPUARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O3/c18-13-1-2-14(19)15(11-13)20-16(24)12-21-3-5-22(6-4-21)17(25)23-7-9-26-10-8-23/h1-2,11H,3-10,12H2,(H,20,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 401.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1094960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).