1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one

C20H31N3O3 — CID 119740240

IUPAC1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)CC(C)C3CCCNC3)CC2)c(C)o1
InChIInChI=1S/C20H31N3O3/c1-14(17-5-4-6-21-13-17)11-19(24)22-7-9-23(10-8-22)20(25)18-12-15(2)26-16(18)3/h12,14,17,21H,4-11,13H2,1-3H3
InChIKeyZACRLAFNNCZKBM-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.21
Rot. Bonds4

About 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119740240) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119740240
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)CC(C)C3CCCNC3)CC2)c(C)o1
InChIInChI=1S/C20H31N3O3/c1-14(17-5-4-6-21-13-17)11-19(24)22-7-9-23(10-8-22)20(25)18-12-15(2)26-16(18)3/h12,14,17,21H,4-11,13H2,1-3H3
InChIKeyZACRLAFNNCZKBM-UHFFFAOYSA-N
XLogP2.21
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one with MolForge

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Related Compounds

1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703462
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119740795
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119832584
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-[4-(4-nitrobenzoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119799618
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119771793
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 119740240) is 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one is Cc1cc(C(=O)N2CCN(C(=O)CC(C)C3CCCNC3)CC2)c(C)o1.
What is the InChIKey of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is ZACRLAFNNCZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(17-5-4-6-21-13-17)11-19(24)22-7-9-23(10-8-22)20(25)18-12-15(2)26-16(18)3/h12,14,17,21H,4-11,13H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 361.49 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119740240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).