1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide

C17H27N3O3 — CID 91837890

IUPAC1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(C(N)=O)oc1C(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-17(2,3)14-11(9-13(23-14)15(18)21)10-20-8-6-5-7-12(20)16(22)19-4/h9,12H,5-8,10H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyGSOZXICSWPNVBG-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.78
Rot. Bonds4

About 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide

1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 91837890) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID91837890
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(C(N)=O)oc1C(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-17(2,3)14-11(9-13(23-14)15(18)21)10-20-8-6-5-7-12(20)16(22)19-4/h9,12H,5-8,10H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyGSOZXICSWPNVBG-UHFFFAOYSA-N
XLogP1.78
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
5-methyl-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 62274666
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
5-tert-butyl-4-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]furan-2-carboxamide
CID 124842384
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 91837890) is 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cc(C(N)=O)oc1C(C)(C)C.
What is the InChIKey of 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is GSOZXICSWPNVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)14-11(9-13(23-14)15(18)21)10-20-8-6-5-7-12(20)16(22)19-4/h9,12H,5-8,10H2,1-4H3,(H2,18,21)(H,19,22).
What are the key properties of 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 91837890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).