1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

C18H25N3O4 — CID 95714397

IUPAC1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3COCCN3)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-24-16-4-2-3-14(11-16)18(23)21-8-6-20(7-9-21)17(22)12-15-13-25-10-5-19-15/h2-4,11,15,19H,5-10,12-13H2,1H3/t15-/m1/s1
InChIKeyAEHIJVWKNAHCCR-OAHLLOKOSA-N
MW347.42 g/mol
LogP0.36
Rot. Bonds4

About 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (PubChem CID 95714397) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
PubChem CID95714397
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3COCCN3)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-24-16-4-2-3-14(11-16)18(23)21-8-6-20(7-9-21)17(22)12-15-13-25-10-5-19-15/h2-4,11,15,19H,5-10,12-13H2,1H3/t15-/m1/s1
InChIKeyAEHIJVWKNAHCCR-OAHLLOKOSA-N
XLogP0.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96577888
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 29154201
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
CID 95710502
[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (CID 95714397) is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The canonical SMILES for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is COc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3COCCN3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The InChIKey is AEHIJVWKNAHCCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-16-4-2-3-14(11-16)18(23)21-8-6-20(7-9-21)17(22)12-15-13-25-10-5-19-15/h2-4,11,15,19H,5-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is sourced from PubChem (CID 95714397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).