formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide

C24H27N3O4 — CID 154904499

IUPACformic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1ccc(C(=O)NC2CCN(Cc3ccco3)CC2)cc1.O=CO
InChIInChI=1S/C23H25N3O2.CH2O2/c1-17-15-24-11-8-22(17)18-4-6-19(7-5-18)23(27)25-20-9-12-26(13-10-20)16-21-3-2-14-28-21;2-1-3/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,25,27);1H,(H,2,3)
InChIKeyLHKQGKQQALFZNM-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.75
Rot. Bonds5

About formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide

formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide (PubChem CID 154904499) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Nameformic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide
PubChem CID154904499
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nameformic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1ccc(C(=O)NC2CCN(Cc3ccco3)CC2)cc1.O=CO
InChIInChI=1S/C23H25N3O2.CH2O2/c1-17-15-24-11-8-22(17)18-4-6-19(7-5-18)23(27)25-20-9-12-26(13-10-20)16-21-3-2-14-28-21;2-1-3/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,25,27);1H,(H,2,3)
InChIKeyLHKQGKQQALFZNM-UHFFFAOYSA-N
XLogP3.75
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 72872687
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide (CID 154904499) is formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1-c1ccc(C(=O)NC2CCN(Cc3ccco3)CC2)cc1.O=CO.
What is the InChIKey of formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is LHKQGKQQALFZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.CH2O2/c1-17-15-24-11-8-22(17)18-4-6-19(7-5-18)23(27)25-20-9-12-26(13-10-20)16-21-3-2-14-28-21;2-1-3/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,25,27);1H,(H,2,3).
What are the key properties of formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide?
formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 154904499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).