formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide

C20H30N4O6 — CID 154912028

IUPACformic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCN(CCc2nccn2C)CC1.O=CO.O=CO
InChIInChI=1S/C18H26N4O2.2CH2O2/c1-14-6-12-24-17(14)18(23)20-13-15-3-8-22(9-4-15)10-5-16-19-7-11-21(16)2;2*2-1-3/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3,(H,20,23);2*1H,(H,2,3)
InChIKeyTWMYVURPKOKWTI-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.41
Rot. Bonds6

About formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide

formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 154912028) has the molecular formula C20H30N4O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Nameformic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID154912028
Molecular FormulaC20H30N4O6
Molecular Weight422.48 g/mol
Exact Mass422.22
IUPAC Nameformic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCN(CCc2nccn2C)CC1.O=CO.O=CO
InChIInChI=1S/C18H26N4O2.2CH2O2/c1-14-6-12-24-17(14)18(23)20-13-15-3-8-22(9-4-15)10-5-16-19-7-11-21(16)2;2*2-1-3/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3,(H,20,23);2*1H,(H,2,3)
InChIKeyTWMYVURPKOKWTI-UHFFFAOYSA-N
XLogP1.41
TPSA137.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide (CID 154912028) is formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCC1CCN(CCc2nccn2C)CC1.O=CO.O=CO.
What is the InChIKey of formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is TWMYVURPKOKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2CH2O2/c1-14-6-12-24-17(14)18(23)20-13-15-3-8-22(9-4-15)10-5-16-19-7-11-21(16)2;2*2-1-3/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3,(H,20,23);2*1H,(H,2,3).
What are the key properties of formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide?
formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 154912028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).