[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H24N2O3 — CID 134026633

IUPAC[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C)o1
InChIInChI=1S/C17H24N2O3/c1-12-11-15(13(2)22-12)17(21)19-9-5-14(6-10-19)16(20)18-7-3-4-8-18/h11,14H,3-10H2,1-2H3
InChIKeyBTSIDEGJBAAOIS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.37
Rot. Bonds2

About [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134026633) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID134026633
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C)o1
InChIInChI=1S/C17H24N2O3/c1-12-11-15(13(2)22-12)17(21)19-9-5-14(6-10-19)16(20)18-7-3-4-8-18/h11,14H,3-10H2,1-2H3
InChIKeyBTSIDEGJBAAOIS-UHFFFAOYSA-N
XLogP2.37
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166411385
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 42779984
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
(2,5-dimethylfuran-3-yl)-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 138807338
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 134026633) is [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C)o1.
What is the InChIKey of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BTSIDEGJBAAOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-11-15(13(2)22-12)17(21)19-9-5-14(6-10-19)16(20)18-7-3-4-8-18/h11,14H,3-10H2,1-2H3.
What are the key properties of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134026633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).