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

C17H24N2O3 — CID 42779978

IUPAC[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2C(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C17H24N2O3/c1-12-11-14(13(2)22-12)16(20)19-10-4-3-7-15(19)17(21)18-8-5-6-9-18/h11,15H,3-10H2,1-2H3
InChIKeyNFNLSYVPDMOBIW-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds2

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

[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42779978) 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-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID42779978
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2C(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C17H24N2O3/c1-12-11-14(13(2)22-12)16(20)19-10-4-3-7-15(19)17(21)18-8-5-6-9-18/h11,15H,3-10H2,1-2H3
InChIKeyNFNLSYVPDMOBIW-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 815120
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 70780559
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
CID 4260306
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
1-[3-[4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166411385
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 97468816
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63765567
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 42779978) is [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2C(=O)N2CCCC2)c(C)o1.
What is the InChIKey of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NFNLSYVPDMOBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-11-14(13(2)22-12)16(20)19-10-4-3-7-15(19)17(21)18-8-5-6-9-18/h11,15H,3-10H2,1-2H3.
What are the key properties of [1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 2.51, 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-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42779978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).