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

C16H22N4O2 — CID 164643054

IUPACN-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NC[C@H]1CCCN(Cc2ccoc2)C1
InChIInChI=1S/C16H22N4O2/c1-12-15(19-11-18-12)16(21)17-7-13-3-2-5-20(8-13)9-14-4-6-22-10-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1
InChIKeyYDGRYDWZYMPLPB-CYBMUJFWSA-N
MW302.38 g/mol
LogP1.95
Rot. Bonds5

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

N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 164643054) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID164643054
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NC[C@H]1CCCN(Cc2ccoc2)C1
InChIInChI=1S/C16H22N4O2/c1-12-15(19-11-18-12)16(21)17-7-13-3-2-5-20(8-13)9-14-4-6-22-10-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1
InChIKeyYDGRYDWZYMPLPB-CYBMUJFWSA-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-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide (CID 164643054) is N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NC[C@H]1CCCN(Cc2ccoc2)C1.
What is the InChIKey of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is YDGRYDWZYMPLPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-15(19-11-18-12)16(21)17-7-13-3-2-5-20(8-13)9-14-4-6-22-10-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-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-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 164643054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).