(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone

C23H26N2O3 — CID 86885930

IUPAC(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(CCCOc3ccc4ccccc4c3)CC2)o1
InChIInChI=1S/C23H26N2O3/c1-18-7-10-22(28-18)23(26)25-14-12-24(13-15-25)11-4-16-27-21-9-8-19-5-2-3-6-20(19)17-21/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyGLNOGZXJLKSWFA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.97
Rot. Bonds6

About (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone

(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone (PubChem CID 86885930) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
PubChem CID86885930
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(CCCOc3ccc4ccccc4c3)CC2)o1
InChIInChI=1S/C23H26N2O3/c1-18-7-10-22(28-18)23(26)25-14-12-24(13-15-25)11-4-16-27-21-9-8-19-5-2-3-6-20(19)17-21/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyGLNOGZXJLKSWFA-UHFFFAOYSA-N
XLogP3.97
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796
(5-methylfuran-2-yl)-[6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 59640618
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
1-benzofuran-2-yl-[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]methanone
CID 90683523
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 63393820
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 112800527

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone (CID 86885930) is (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(CCCOc3ccc4ccccc4c3)CC2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone?
The InChIKey is GLNOGZXJLKSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18-7-10-22(28-18)23(26)25-14-12-24(13-15-25)11-4-16-27-21-9-8-19-5-2-3-6-20(19)17-21/h2-3,5-10,17H,4,11-16H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone?
(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86885930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).