[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride

C16H20Cl3N3O3 — CID 119720695

IUPAC[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C16H19Cl2N3O3.ClH/c17-12-3-1-2-11(14(12)18)15(22)20-5-7-21(8-6-20)16(23)13-10-19-4-9-24-13;/h1-3,13,19H,4-10H2;1H
InChIKeyKLJKKUUPBUKUJL-UHFFFAOYSA-N
MW408.71 g/mol
LogP1.69
Rot. Bonds2

About [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119720695) has the molecular formula C16H20Cl3N3O3 and a molecular weight of 408.71 g/mol. Its IUPAC name is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119720695
Molecular FormulaC16H20Cl3N3O3
Molecular Weight408.71 g/mol
Exact Mass407.06
IUPAC Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C16H19Cl2N3O3.ClH/c17-12-3-1-2-11(14(12)18)15(22)20-5-7-21(8-6-20)16(23)13-10-19-4-9-24-13;/h1-3,13,19H,4-10H2;1H
InChIKeyKLJKKUUPBUKUJL-UHFFFAOYSA-N
XLogP1.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119745412
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768
[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119678332

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119720695) is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride is Cl.O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is KLJKKUUPBUKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3.ClH/c17-12-3-1-2-11(14(12)18)15(22)20-5-7-21(8-6-20)16(23)13-10-19-4-9-24-13;/h1-3,13,19H,4-10H2;1H.
What are the key properties of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 408.71 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119720695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).