[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C16H25Cl2N3O3 — CID 119829453

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCOc1cccc(N2CCN(C(=O)C3CNCCO3)CC2)c1.Cl.Cl
InChIInChI=1S/C16H23N3O3.2ClH/c1-21-14-4-2-3-13(11-14)18-6-8-19(9-7-18)16(20)15-12-17-5-10-22-15;;/h2-4,11,15,17H,5-10,12H2,1H3;2*1H
InChIKeyUANOHRPDEIXXEP-UHFFFAOYSA-N
MW378.30 g/mol
LogP1.18
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119829453) has the molecular formula C16H25Cl2N3O3 and a molecular weight of 378.30 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119829453
Molecular FormulaC16H25Cl2N3O3
Molecular Weight378.30 g/mol
Exact Mass377.13
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCOc1cccc(N2CCN(C(=O)C3CNCCO3)CC2)c1.Cl.Cl
InChIInChI=1S/C16H23N3O3.2ClH/c1-21-14-4-2-3-13(11-14)18-6-8-19(9-7-18)16(20)15-12-17-5-10-22-15;;/h2-4,11,15,17H,5-10,12H2,1H3;2*1H
InChIKeyUANOHRPDEIXXEP-UHFFFAOYSA-N
XLogP1.18
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119700017
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 74237629
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119829453) is [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is COc1cccc(N2CCN(C(=O)C3CNCCO3)CC2)c1.Cl.Cl.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is UANOHRPDEIXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.2ClH/c1-21-14-4-2-3-13(11-14)18-6-8-19(9-7-18)16(20)15-12-17-5-10-22-15;;/h2-4,11,15,17H,5-10,12H2,1H3;2*1H.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 378.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119829453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).