3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide

C17H24N2O2 — CID 131925360

IUPAC3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
SMILESCCC#CCN1CCC(CNC(=O)c2occc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-3-4-5-9-19-10-6-15(7-11-19)13-18-17(20)16-14(2)8-12-21-16/h8,12,15H,3,6-7,9-11,13H2,1-2H3,(H,18,20)
InChIKeyKWEOZYPOLFFURN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds4

About 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide

3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide (PubChem CID 131925360) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
PubChem CID131925360
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
SMILESCCC#CCN1CCC(CNC(=O)c2occc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-3-4-5-9-19-10-6-15(7-11-19)13-18-17(20)16-14(2)8-12-21-16/h8,12,15H,3,6-7,9-11,13H2,1-2H3,(H,18,20)
InChIKeyKWEOZYPOLFFURN-UHFFFAOYSA-N
XLogP2.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
CID 131929470
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide
CID 56700936
formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912028
3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 30853413
formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912824
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 131924897
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
CID 114317495
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
CID 114317234

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide (CID 131925360) is 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide is CCC#CCN1CCC(CNC(=O)c2occc2C)CC1.
What is the InChIKey of 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is KWEOZYPOLFFURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-5-9-19-10-6-15(7-11-19)13-18-17(20)16-14(2)8-12-21-16/h8,12,15H,3,6-7,9-11,13H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide?
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 131925360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).