4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide

C18H27N3O3 — CID 108560027

IUPAC4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C18H27N3O3/c1-13-5-6-16(14(2)11-13)24-12-17(22)19-15-7-9-21(10-8-15)18(23)20(3)4/h5-6,11,15H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyFOLDPUJZJAACHI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds4

About 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide

4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 108560027) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID108560027
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C18H27N3O3/c1-13-5-6-16(14(2)11-13)24-12-17(22)19-15-7-9-21(10-8-15)18(23)20(3)4/h5-6,11,15H,7-10,12H2,1-4H3,(H,19,22)
InChIKeyFOLDPUJZJAACHI-UHFFFAOYSA-N
XLogP1.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide (CID 108560027) is 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)N(C)C)CC2)c(C)c1.
What is the InChIKey of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is FOLDPUJZJAACHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-5-6-16(14(2)11-13)24-12-17(22)19-15-7-9-21(10-8-15)18(23)20(3)4/h5-6,11,15H,7-10,12H2,1-4H3,(H,19,22).
What are the key properties of 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108560027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).