N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide

C16H22N4O2 — CID 167833392

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cn(C2CCCNC2)cn1
InChIInChI=1S/C16H22N4O2/c1-12-13(5-7-22-12)9-19(2)16(21)15-10-20(11-18-15)14-4-3-6-17-8-14/h5,7,10-11,14,17H,3-4,6,8-9H2,1-2H3
InChIKeyVRPGKOZCHFDNQG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide

N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide (PubChem CID 167833392) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide
PubChem CID167833392
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cn(C2CCCNC2)cn1
InChIInChI=1S/C16H22N4O2/c1-12-13(5-7-22-12)9-19(2)16(21)15-10-20(11-18-15)14-4-3-6-17-8-14/h5,7,10-11,14,17H,3-4,6,8-9H2,1-2H3
InChIKeyVRPGKOZCHFDNQG-UHFFFAOYSA-N
XLogP1.98
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide (CID 167833392) is N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide is Cc1occc1CN(C)C(=O)c1cn(C2CCCNC2)cn1.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide?
The InChIKey is VRPGKOZCHFDNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-13(5-7-22-12)9-19(2)16(21)15-10-20(11-18-15)14-4-3-6-17-8-14/h5,7,10-11,14,17H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide?
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 167833392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).