N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide

C16H22N4O2 — CID 131916054

IUPACN-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C16H22N4O2/c1-12-15(19-11-18-12)16(21)17-8-13-2-5-20(6-3-13)9-14-4-7-22-10-14/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyREYASIPHCZTECL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.95
Rot. Bonds5

About N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide

N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 131916054) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID131916054
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C16H22N4O2/c1-12-15(19-11-18-12)16(21)17-8-13-2-5-20(6-3-13)9-14-4-7-22-10-14/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyREYASIPHCZTECL-UHFFFAOYSA-N
XLogP1.95
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide (CID 131916054) is N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NCC1CCN(Cc2ccoc2)CC1.
What is the InChIKey of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is REYASIPHCZTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-15(19-11-18-12)16(21)17-8-13-2-5-20(6-3-13)9-14-4-7-22-10-14/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 131916054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).