1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C19H25N3O4 — CID 55496718

IUPAC1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C19H25N3O4/c23-18(14-20-9-11-25-12-10-20)21-5-7-22(8-6-21)19(24)17-13-15-3-1-2-4-16(15)26-17/h1-4,17H,5-14H2
InChIKeyZUGLPCAEXXJWJA-UHFFFAOYSA-N
MW359.43 g/mol
LogP-0.01
Rot. Bonds3

About 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55496718) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55496718
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)C2Cc3ccccc3O2)CC1
InChIInChI=1S/C19H25N3O4/c23-18(14-20-9-11-25-12-10-20)21-5-7-22(8-6-21)19(24)17-13-15-3-1-2-4-16(15)26-17/h1-4,17H,5-14H2
InChIKeyZUGLPCAEXXJWJA-UHFFFAOYSA-N
XLogP-0.01
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
[4-(5-aminopentyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 168813718
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9087045
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
2,3-dihydro-1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545517
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 62061970
2,3-dihydro-1-benzofuran-2-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304626

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55496718) is 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)C2Cc3ccccc3O2)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZUGLPCAEXXJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-18(14-20-9-11-25-12-10-20)21-5-7-22(8-6-21)19(24)17-13-15-3-1-2-4-16(15)26-17/h1-4,17H,5-14H2.
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 359.43 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55496718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).