(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide

C17H26N2O3 — CID 815120

IUPAC(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC[C@H]2C(=O)NCC(C)C)c(C)o1
InChIInChI=1S/C17H26N2O3/c1-11(2)10-18-16(20)15-7-5-6-8-19(15)17(21)14-9-12(3)22-13(14)4/h9,11,15H,5-8,10H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyHUOIKGZLYRPLTC-HNNXBMFYSA-N
MW306.41 g/mol
LogP2.66
Rot. Bonds4

About (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide

(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 815120) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID815120
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC[C@H]2C(=O)NCC(C)C)c(C)o1
InChIInChI=1S/C17H26N2O3/c1-11(2)10-18-16(20)15-7-5-6-8-19(15)17(21)14-9-12(3)22-13(14)4/h9,11,15H,5-8,10H2,1-4H3,(H,18,20)/t15-/m0/s1
InChIKeyHUOIKGZLYRPLTC-HNNXBMFYSA-N
XLogP2.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42779978
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
CID 4260306
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
ethyl 2-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 70780559
1-(2,5-dimethylfuran-3-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45252531
1-(2,5-dimethylfuran-3-carbonyl)-N-[4-[2-[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 77264898
(2S)-1-N-cyclohexyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468475
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide (CID 815120) is (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide is Cc1cc(C(=O)N2CCCC[C@H]2C(=O)NCC(C)C)c(C)o1.
What is the InChIKey of (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is HUOIKGZLYRPLTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)10-18-16(20)15-7-5-6-8-19(15)17(21)14-9-12(3)22-13(14)4/h9,11,15H,5-8,10H2,1-4H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
(2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dimethylfuran-3-carbonyl)-N-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 815120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).