[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone

C16H25N3O2 — CID 7026554

IUPAC[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCN1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-17-9-11-18(12-10-17)14-5-7-19(8-6-14)16(20)15-4-3-13-21-15/h3-4,13-14H,2,5-12H2,1H3
InChIKeyAVKGJDSZWUVPCH-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.52
Rot. Bonds3

About [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone

[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 7026554) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID7026554
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCN1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C16H25N3O2/c1-2-17-9-11-18(12-10-17)14-5-7-19(8-6-14)16(20)15-4-3-13-21-15/h3-4,13-14H,2,5-12H2,1H3
InChIKeyAVKGJDSZWUVPCH-UHFFFAOYSA-N
XLogP1.52
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 86896760
furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56722979
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 92746923
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 7026554) is [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is CCN1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is AVKGJDSZWUVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-17-9-11-18(12-10-17)14-5-7-19(8-6-14)16(20)15-4-3-13-21-15/h3-4,13-14H,2,5-12H2,1H3.
What are the key properties of [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7026554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).