N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide

C18H27N3O3 — CID 86985236

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C18H27N3O3/c1-13-4-3-5-16(14(13)2)24-11-8-18(23)20-15-6-9-21(10-7-15)12-17(19)22/h3-5,15H,6-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMILRHYSXCVYRFF-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.14
Rot. Bonds7

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 86985236) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
PubChem CID86985236
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C18H27N3O3/c1-13-4-3-5-16(14(13)2)24-11-8-18(23)20-15-6-9-21(10-7-15)12-17(19)22/h3-5,15H,6-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyMILRHYSXCVYRFF-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide
CID 86822832
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526
3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454143
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 37387185
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
CID 134047765

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide (CID 86985236) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OCCC(=O)NC2CCN(CC(N)=O)CC2)c1C.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is MILRHYSXCVYRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-4-3-5-16(14(13)2)24-11-8-18(23)20-15-6-9-21(10-7-15)12-17(19)22/h3-5,15H,6-12H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 333.43 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 86985236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).