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'}

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

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Related Compounds

4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131911270
2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 131943217
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912824
3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 30853413
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335
N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide
CID 56700936
N,3-dimethyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]furan-2-carboxamide
CID 129337216
N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
CID 131920487
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016

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).