N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

C16H27N3O — CID 106328568

IUPACN-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O/c1-4-16(3,5-2)18-15(20)14-7-6-12-19(14)13-8-10-17-11-9-13/h6-7,12-13,17H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyCOCCWMNATUFLHZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.72
Rot. Bonds5

About N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 106328568) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID106328568
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O/c1-4-16(3,5-2)18-15(20)14-7-6-12-19(14)13-8-10-17-11-9-13/h6-7,12-13,17H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyCOCCWMNATUFLHZ-UHFFFAOYSA-N
XLogP2.72
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715939
N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
N-(2-ethylcyclopropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811287
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 106328568) is N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is CCC(C)(CC)NC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is COCCWMNATUFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-16(3,5-2)18-15(20)14-7-6-12-19(14)13-8-10-17-11-9-13/h6-7,12-13,17H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106328568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).