2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

C17H27N3O3 — CID 46330404

IUPAC2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1
InChIInChI=1S/C17H27N3O3/c1-12-10-13(2)19-16(12)17(22)20-7-4-14(5-8-20)11-15(21)18-6-9-23-3/h10,14,19H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyMPMDWMKNJVGREY-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.64
Rot. Bonds6

About 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 46330404) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID46330404
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1
InChIInChI=1S/C17H27N3O3/c1-12-10-13(2)19-16(12)17(22)20-7-4-14(5-8-20)11-15(21)18-6-9-23-3/h10,14,19H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyMPMDWMKNJVGREY-UHFFFAOYSA-N
XLogP1.64
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N2,N4-Bis(2-methoxyethyl)-2,4-pyridinedicarboxamide
CID 60788
(2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23634442
(2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093410
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-[(5-methyl-1H-pyrrol-2-yl)formamido]butanamide
CID 25093411
6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 134821995
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-Pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10878782
2-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indole
CID 68081305
4-acetyl-3,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 2084999
5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexylcarbamoyl-butyl)-(3-diethylamino-propyl)-amide
CID 3153998
5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexylcarbamoyl-pentyl)-(3-diethylamino-propyl)-amide
CID 3153999
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3174396

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide (CID 46330404) is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is MPMDWMKNJVGREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-10-13(2)19-16(12)17(22)20-7-4-14(5-8-20)11-15(21)18-6-9-23-3/h10,14,19H,4-9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide?
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46330404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).