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

C15H18N4O3 — CID 131917586

IUPACN-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cnc[nH]2)CC1)c1ccoc1
InChIInChI=1S/C15H18N4O3/c20-14(12-3-6-22-9-12)17-7-11-1-4-19(5-2-11)15(21)13-8-16-10-18-13/h3,6,8-11H,1-2,4-5,7H2,(H,16,18)(H,17,20)
InChIKeyPFNIOOPMGNKULG-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.28
Rot. Bonds4

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

N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 131917586) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID131917586
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cnc[nH]2)CC1)c1ccoc1
InChIInChI=1S/C15H18N4O3/c20-14(12-3-6-22-9-12)17-7-11-1-4-19(5-2-11)15(21)13-8-16-10-18-13/h3,6,8-11H,1-2,4-5,7H2,(H,16,18)(H,17,20)
InChIKeyPFNIOOPMGNKULG-UHFFFAOYSA-N
XLogP1.28
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 131917586) is N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is O=C(NCC1CCN(C(=O)c2cnc[nH]2)CC1)c1ccoc1.
What is the InChIKey of N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is PFNIOOPMGNKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-14(12-3-6-22-9-12)17-7-11-1-4-19(5-2-11)15(21)13-8-16-10-18-13/h3,6,8-11H,1-2,4-5,7H2,(H,16,18)(H,17,20).
What are the key properties of N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131917586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).