N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

C16H27N3O — CID 63965050

IUPACN-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O/c1-5-16(2,3)18(4)15(20)14-7-6-12-19(14)13-8-10-17-11-9-13/h6-7,12-13,17H,5,8-11H2,1-4H3
InChIKeyNEOPAASTPJAQDG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 63965050) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID63965050
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O/c1-5-16(2,3)18(4)15(20)14-7-6-12-19(14)13-8-10-17-11-9-13/h6-7,12-13,17H,5,8-11H2,1-4H3
InChIKeyNEOPAASTPJAQDG-UHFFFAOYSA-N
XLogP2.67
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 63965050) is N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is CCC(C)(C)N(C)C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is NEOPAASTPJAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(2,3)18(4)15(20)14-7-6-12-19(14)13-8-10-17-11-9-13/h6-7,12-13,17H,5,8-11H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63965050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).