N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide

C20H24N2O4 — CID 126805706

IUPACN-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2oc(CO)cc2C)CC1
InChIInChI=1S/C20H24N2O4/c1-13-5-3-4-6-17(13)19(24)21-15-7-9-22(10-8-15)20(25)18-14(2)11-16(12-23)26-18/h3-6,11,15,23H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyBRGOXWODFKPRCJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.42
Rot. Bonds4

About N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 126805706) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID126805706
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2oc(CO)cc2C)CC1
InChIInChI=1S/C20H24N2O4/c1-13-5-3-4-6-17(13)19(24)21-15-7-9-22(10-8-15)20(25)18-14(2)11-16(12-23)26-18/h3-6,11,15,23H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyBRGOXWODFKPRCJ-UHFFFAOYSA-N
XLogP2.42
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide (CID 126805706) is N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2oc(CO)cc2C)CC1.
What is the InChIKey of N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is BRGOXWODFKPRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-5-3-4-6-17(13)19(24)21-15-7-9-22(10-8-15)20(25)18-14(2)11-16(12-23)26-18/h3-6,11,15,23H,7-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 126805706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).