N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide

C16H27N3O2 — CID 62715939

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O2/c1-3-16(4-2,12-20)18-15(21)14-6-5-11-19(14)13-7-9-17-10-8-13/h5-6,11,13,17,20H,3-4,7-10,12H2,1-2H3,(H,18,21)
InChIKeyQZGUCDUTGOYMAJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.69
Rot. Bonds6

About N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 62715939) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID62715939
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O2/c1-3-16(4-2,12-20)18-15(21)14-6-5-11-19(14)13-7-9-17-10-8-13/h5-6,11,13,17,20H,3-4,7-10,12H2,1-2H3,(H,18,21)
InChIKeyQZGUCDUTGOYMAJ-UHFFFAOYSA-N
XLogP1.69
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
N-(2-ethylcyclopropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811287
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide
CID 62520316
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-propylpyrrole-2-carboxamide
CID 114010730

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide (CID 62715939) is N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide is CCC(CC)(CO)NC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is QZGUCDUTGOYMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-16(4-2,12-20)18-15(21)14-6-5-11-19(14)13-7-9-17-10-8-13/h5-6,11,13,17,20H,3-4,7-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62715939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).