[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

C19H24N2O4 — CID 56779877

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C19H24N2O4/c1-15(22)13-20-8-10-21(11-9-20)19(23)18-16(7-12-24-18)14-25-17-5-3-2-4-6-17/h2-7,12,15,22H,8-11,13-14H2,1H3
InChIKeyLWXGSKBABDHWAS-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.00
Rot. Bonds6

About [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 56779877) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
PubChem CID56779877
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C19H24N2O4/c1-15(22)13-20-8-10-21(11-9-20)19(23)18-16(7-12-24-18)14-25-17-5-3-2-4-6-17/h2-7,12,15,22H,8-11,13-14H2,1H3
InChIKeyLWXGSKBABDHWAS-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 71930814
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 41430741
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 30898695
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 46699044
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
CID 35795456
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 38012980

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (CID 56779877) is [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is CC(O)CN1CCN(C(=O)c2occc2COc2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is LWXGSKBABDHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-15(22)13-20-8-10-21(11-9-20)19(23)18-16(7-12-24-18)14-25-17-5-3-2-4-6-17/h2-7,12,15,22H,8-11,13-14H2,1H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 344.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 56779877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).