N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide

C18H27N3O4 — CID 75448434

IUPACN-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
SMILESCN(CCO)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H27N3O4/c1-20(11-12-22)15-7-9-21(10-8-15)18(24)13-19-17(23)14-25-16-5-3-2-4-6-16/h2-6,15,22H,7-14H2,1H3,(H,19,23)
InChIKeyUIAUAYDSNVYKAX-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.10
Rot. Bonds8

About N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide

N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 75448434) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
PubChem CID75448434
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
SMILESCN(CCO)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H27N3O4/c1-20(11-12-22)15-7-9-21(10-8-15)18(24)13-19-17(23)14-25-16-5-3-2-4-6-16/h2-6,15,22H,7-14H2,1H3,(H,19,23)
InChIKeyUIAUAYDSNVYKAX-UHFFFAOYSA-N
XLogP0.10
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120528193
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 17460898
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356620
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide (CID 75448434) is N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide is CN(CCO)C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is UIAUAYDSNVYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-20(11-12-22)15-7-9-21(10-8-15)18(24)13-19-17(23)14-25-16-5-3-2-4-6-16/h2-6,15,22H,7-14H2,1H3,(H,19,23).
What are the key properties of N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide?
N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 349.43 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 75448434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).