5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide

C20H31N3O3 — CID 129002083

IUPAC5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)N1CCCCC1c1ccc(C(=O)NCCOC2CCCC2)n1C
InChIInChI=1S/C20H31N3O3/c1-15(24)23-13-6-5-9-18(23)17-10-11-19(22(17)2)20(25)21-12-14-26-16-7-3-4-8-16/h10-11,16,18H,3-9,12-14H2,1-2H3,(H,21,25)
InChIKeyHXKAMTRGVSLHBV-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.79
Rot. Bonds6

About 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide

5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 129002083) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide
PubChem CID129002083
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCC(=O)N1CCCCC1c1ccc(C(=O)NCCOC2CCCC2)n1C
InChIInChI=1S/C20H31N3O3/c1-15(24)23-13-6-5-9-18(23)17-10-11-19(22(17)2)20(25)21-12-14-26-16-7-3-4-8-16/h10-11,16,18H,3-9,12-14H2,1-2H3,(H,21,25)
InChIKeyHXKAMTRGVSLHBV-UHFFFAOYSA-N
XLogP2.79
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide (CID 129002083) is 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide is CC(=O)N1CCCCC1c1ccc(C(=O)NCCOC2CCCC2)n1C.
What is the InChIKey of 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is HXKAMTRGVSLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(24)23-13-6-5-9-18(23)17-10-11-19(22(17)2)20(25)21-12-14-26-16-7-3-4-8-16/h10-11,16,18H,3-9,12-14H2,1-2H3,(H,21,25).
What are the key properties of 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide?
5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 129002083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).