[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

C19H24N2O4 — CID 71930814

IUPAC[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C19H24N2O4/c1-15-7-12-24-18(15)19(23)21-10-8-20(9-11-21)13-16(22)14-25-17-5-3-2-4-6-17/h2-7,12,16,22H,8-11,13-14H2,1H3
InChIKeySQZPVRMSJYUGIM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.79
Rot. Bonds6

About [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 71930814) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID71930814
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C19H24N2O4/c1-15-7-12-24-18(15)19(23)21-10-8-20(9-11-21)13-16(22)14-25-17-5-3-2-4-6-17/h2-7,12,16,22H,8-11,13-14H2,1H3
InChIKeySQZPVRMSJYUGIM-UHFFFAOYSA-N
XLogP1.79
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95346651
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
(2-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 123132402
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]butan-1-one
CID 119881232
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
CID 119881234

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 71930814) is [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is SQZPVRMSJYUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-15-7-12-24-18(15)19(23)21-10-8-20(9-11-21)13-16(22)14-25-17-5-3-2-4-6-17/h2-7,12,16,22H,8-11,13-14H2,1H3.
What are the key properties of [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 71930814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).