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

C19H31N3O3 — CID 46330409

IUPAC2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1
InChIInChI=1S/C19H31N3O3/c1-4-25-11-5-8-20-17(23)13-16-6-9-22(10-7-16)19(24)18-14(2)12-15(3)21-18/h12,16,21H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyXWIIPKNADHOPSO-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.42
Rot. Bonds8

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

2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide (PubChem CID 46330409) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide
PubChem CID46330409
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1
InChIInChI=1S/C19H31N3O3/c1-4-25-11-5-8-20-17(23)13-16-6-9-22(10-7-16)19(24)18-14(2)12-15(3)21-18/h12,16,21H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyXWIIPKNADHOPSO-UHFFFAOYSA-N
XLogP2.42
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide (CID 46330409) is 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=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-(3-ethoxypropyl)acetamide?
The InChIKey is XWIIPKNADHOPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-25-11-5-8-20-17(23)13-16-6-9-22(10-7-16)19(24)18-14(2)12-15(3)21-18/h12,16,21H,4-11,13H2,1-3H3,(H,20,23).
What are the key properties of 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide?
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-(3-ethoxypropyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.42, 8 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-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 46330409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).