[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone

C23H31N3O3 — CID 46957633

IUPAC[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCCc1oc(C(=O)N2CCN(C)CC2c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C23H31N3O3/c1-3-21-19(16-25-11-13-28-14-12-25)15-22(29-21)23(27)26-10-9-24(2)17-20(26)18-7-5-4-6-8-18/h4-8,15,20H,3,9-14,16-17H2,1-2H3
InChIKeyQTRHZGFIIGSDOE-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.80
Rot. Bonds5

About [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone

[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 46957633) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID46957633
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCCc1oc(C(=O)N2CCN(C)CC2c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C23H31N3O3/c1-3-21-19(16-25-11-13-28-14-12-25)15-22(29-21)23(27)26-10-9-24(2)17-20(26)18-7-5-4-6-8-18/h4-8,15,20H,3,9-14,16-17H2,1-2H3
InChIKeyQTRHZGFIIGSDOE-UHFFFAOYSA-N
XLogP2.80
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone
CID 94363736
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 97436355
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46483058
[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42919519
1'-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46952520
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 154771285
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 112802623

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 46957633) is [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone is CCc1oc(C(=O)N2CCN(C)CC2c2ccccc2)cc1CN1CCOCC1.
What is the InChIKey of [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is QTRHZGFIIGSDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-21-19(16-25-11-13-28-14-12-25)15-22(29-21)23(27)26-10-9-24(2)17-20(26)18-7-5-4-6-8-18/h4-8,15,20H,3,9-14,16-17H2,1-2H3.
What are the key properties of [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 397.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46957633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).