[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C17H25N3O3 — CID 108990325

IUPAC[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCC1CCCCN1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O3/c1-2-14-6-3-4-8-20(14)17(22)19-11-9-18(10-12-19)16(21)15-7-5-13-23-15/h5,7,13-14H,2-4,6,8-12H2,1H3
InChIKeyOVNBJLACFUZZFN-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.42
Rot. Bonds2

About [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 108990325) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID108990325
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCC1CCCCN1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O3/c1-2-14-6-3-4-8-20(14)17(22)19-11-9-18(10-12-19)16(21)15-7-5-13-23-15/h5,7,13-14H,2-4,6,8-12H2,1H3
InChIKeyOVNBJLACFUZZFN-UHFFFAOYSA-N
XLogP2.42
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
[4-[4-(2-ethylpiperidin-1-yl)pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109216173
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
(2-ethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 46087375
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 108990325) is [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is CCC1CCCCN1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OVNBJLACFUZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-14-6-3-4-8-20(14)17(22)19-11-9-18(10-12-19)16(21)15-7-5-13-23-15/h5,7,13-14H,2-4,6,8-12H2,1H3.
What are the key properties of [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 108990325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).