2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

C18H27N5O4 — CID 18278896

IUPAC2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O
InChIInChI=1S/C18H27N5O4/c1-27-10-7-20-18(26)22-16(24)12-21-15-6-5-13(11-14(15)17(19)25)23-8-3-2-4-9-23/h5-6,11,21H,2-4,7-10,12H2,1H3,(H2,19,25)(H2,20,22,24,26)
InChIKeyMXVJZELNRIUSRZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.66
Rot. Bonds8

About 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (PubChem CID 18278896) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
PubChem CID18278896
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O
InChIInChI=1S/C18H27N5O4/c1-27-10-7-20-18(26)22-16(24)12-21-15-6-5-13(11-14(15)17(19)25)23-8-3-2-4-9-23/h5-6,11,21H,2-4,7-10,12H2,1H3,(H2,19,25)(H2,20,22,24,26)
InChIKeyMXVJZELNRIUSRZ-UHFFFAOYSA-N
XLogP0.66
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18275278
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 86916369
2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18272466
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 42125979
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide
CID 40939827

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (CID 18278896) is 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is COCCNC(=O)NC(=O)CNc1ccc(N2CCCCC2)cc1C(N)=O.
What is the InChIKey of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The InChIKey is MXVJZELNRIUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-27-10-7-20-18(26)22-16(24)12-21-15-6-5-13(11-14(15)17(19)25)23-8-3-2-4-9-23/h5-6,11,21H,2-4,7-10,12H2,1H3,(H2,19,25)(H2,20,22,24,26).
What are the key properties of 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide has a molecular weight of 377.45 g/mol, XLogP of 0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 18278896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).