N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide

C18H26N4O2 — CID 56709432

IUPACN-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1cc(CN2CCCC(CNC(=O)Cn3cccn3)C2)oc1C
InChIInChI=1S/C18H26N4O2/c1-14-9-17(24-15(14)2)12-21-7-3-5-16(11-21)10-19-18(23)13-22-8-4-6-20-22/h4,6,8-9,16H,3,5,7,10-13H2,1-2H3,(H,19,23)
InChIKeyMSBQRIRINOGUQI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds6

About N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide

N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 56709432) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID56709432
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1cc(CN2CCCC(CNC(=O)Cn3cccn3)C2)oc1C
InChIInChI=1S/C18H26N4O2/c1-14-9-17(24-15(14)2)12-21-7-3-5-16(11-21)10-19-18(23)13-22-8-4-6-20-22/h4,6,8-9,16H,3,5,7,10-13H2,1-2H3,(H,19,23)
InChIKeyMSBQRIRINOGUQI-UHFFFAOYSA-N
XLogP2.12
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-methylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410818
N'-(4-isopropylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5412129
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525
2-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-2-yl}ethanol
CID 16192229
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 24818915
2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16189804
N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 1224571
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817530
N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309748
tert-butyl 4-(4-{[(furan-2-yl)methyl]carbamoyl}-1-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 16024190

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide (CID 56709432) is N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide is Cc1cc(CN2CCCC(CNC(=O)Cn3cccn3)C2)oc1C.
What is the InChIKey of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is MSBQRIRINOGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-9-17(24-15(14)2)12-21-7-3-5-16(11-21)10-19-18(23)13-22-8-4-6-20-22/h4,6,8-9,16H,3,5,7,10-13H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide?
N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 330.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 56709432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).