N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H28N2O4 — CID 38208532

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C22H28N2O4/c1-15(2)19-5-4-16(3)12-20(19)28-14-21(25)23-18-6-9-24(10-7-18)22(26)17-8-11-27-13-17/h4-5,8,11-13,15,18H,6-7,9-10,14H2,1-3H3,(H,23,25)
InChIKeyBDJMLTWAZOEDNL-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 38208532) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID38208532
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C22H28N2O4/c1-15(2)19-5-4-16(3)12-20(19)28-14-21(25)23-18-6-9-24(10-7-18)22(26)17-8-11-27-13-17/h4-5,8,11-13,15,18H,6-7,9-10,14H2,1-3H3,(H,23,25)
InChIKeyBDJMLTWAZOEDNL-UHFFFAOYSA-N
XLogP3.51
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 24660712
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 51115668
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119622613
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 38208532) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is BDJMLTWAZOEDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)19-5-4-16(3)12-20(19)28-14-21(25)23-18-6-9-24(10-7-18)22(26)17-8-11-27-13-17/h4-5,8,11-13,15,18H,6-7,9-10,14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 38208532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).