N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

C19H26Cl2N4O3 — CID 86904487

IUPACN-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C(=O)N1CCOCC1)N1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H26Cl2N4O3/c1-14(19(27)25-9-11-28-12-10-25)24-7-5-23(6-8-24)13-17(26)22-18-15(20)3-2-4-16(18)21/h2-4,14H,5-13H2,1H3,(H,22,26)
InChIKeyAMFHJTQRAQEFHI-UHFFFAOYSA-N
MW429.35 g/mol
LogP1.80
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 86904487) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
PubChem CID86904487
Molecular FormulaC19H26Cl2N4O3
Molecular Weight429.35 g/mol
Exact Mass428.14
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
SMILESCC(C(=O)N1CCOCC1)N1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H26Cl2N4O3/c1-14(19(27)25-9-11-28-12-10-25)24-7-5-23(6-8-24)13-17(26)22-18-15(20)3-2-4-16(18)21/h2-4,14H,5-13H2,1H3,(H,22,26)
InChIKeyAMFHJTQRAQEFHI-UHFFFAOYSA-N
XLogP1.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738788
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-(2,6-dichlorophenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94799087
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 134045373
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide (CID 86904487) is N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide is CC(C(=O)N1CCOCC1)N1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is AMFHJTQRAQEFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O3/c1-14(19(27)25-9-11-28-12-10-25)24-7-5-23(6-8-24)13-17(26)22-18-15(20)3-2-4-16(18)21/h2-4,14H,5-13H2,1H3,(H,22,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 429.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86904487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).