1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide

C17H29N3O — CID 81494193

IUPAC1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cccn1C1CCNCC1)C(C)(C)C
InChIInChI=1S/C17H29N3O/c1-13(17(2,3)4)12-19-16(21)15-6-5-11-20(15)14-7-9-18-10-8-14/h5-6,11,13-14,18H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyFGFBVHRSBUBPHW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.82
Rot. Bonds4

About 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide

1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide (PubChem CID 81494193) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
PubChem CID81494193
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cccn1C1CCNCC1)C(C)(C)C
InChIInChI=1S/C17H29N3O/c1-13(17(2,3)4)12-19-16(21)15-6-5-11-20(15)14-7-9-18-10-8-14/h5-6,11,13-14,18H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyFGFBVHRSBUBPHW-UHFFFAOYSA-N
XLogP2.82
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115740642

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide (CID 81494193) is 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide is CC(CNC(=O)c1cccn1C1CCNCC1)C(C)(C)C.
What is the InChIKey of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
The InChIKey is FGFBVHRSBUBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(17(2,3)4)12-19-16(21)15-6-5-11-20(15)14-7-9-18-10-8-14/h5-6,11,13-14,18H,7-10,12H2,1-4H3,(H,19,21).
What are the key properties of 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide?
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 81494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).