N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

C20H24N2O3 — CID 1437976

IUPACN-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-4-6-16(7-5-15)20(24)17-8-10-22(11-9-17)14-19(23)21-13-18-3-2-12-25-18/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,23)
InChIKeyMPOFHKTURUIGNH-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.80
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (PubChem CID 1437976) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
PubChem CID1437976
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-4-6-16(7-5-15)20(24)17-8-10-22(11-9-17)14-19(23)21-13-18-3-2-12-25-18/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,23)
InChIKeyMPOFHKTURUIGNH-UHFFFAOYSA-N
XLogP2.80
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
CID 78904271
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 94779967
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
4-benzoyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 17461318
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]acetamide
CID 71793804
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (CID 1437976) is N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is Cc1ccc(C(=O)C2CCN(CC(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The InChIKey is MPOFHKTURUIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-4-6-16(7-5-15)20(24)17-8-10-22(11-9-17)14-19(23)21-13-18-3-2-12-25-18/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1437976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).