[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone

C18H28N4O3 — CID 126830053

IUPAC[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone
SMILESCCCc1occc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-4-16-15(5-14-25-16)17(23)20-10-12-22(13-11-20)18(24)21-8-6-19(2)7-9-21/h5,14H,3-4,6-13H2,1-2H3
InChIKeyITYQZAWBQIAXJH-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.36
Rot. Bonds3

About [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone

[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone (PubChem CID 126830053) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone
PubChem CID126830053
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone
SMILESCCCc1occc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-4-16-15(5-14-25-16)17(23)20-10-12-22(13-11-20)18(24)21-8-6-19(2)7-9-21/h5,14H,3-4,6-13H2,1-2H3
InChIKeyITYQZAWBQIAXJH-UHFFFAOYSA-N
XLogP1.36
TPSA60.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114103087
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377
6-[1-(2-propylfuran-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 126834305
2-butylfuran-3-carboxylic acid
CID 10678677
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
CID 90673468
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 129485439
[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 56564571
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80660536

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone?
The IUPAC name of [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone (CID 126830053) is [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone.
What is the SMILES notation for [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone?
The canonical SMILES for [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone is CCCc1occc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone?
The InChIKey is ITYQZAWBQIAXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-4-16-15(5-14-25-16)17(23)20-10-12-22(13-11-20)18(24)21-8-6-19(2)7-9-21/h5,14H,3-4,6-13H2,1-2H3.
What are the key properties of [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone?
[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone is sourced from PubChem (CID 126830053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).