N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide

C13H21N3O2 — CID 107221129

IUPACN-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C13H21N3O2/c1-10(17)9-15-13(18)12-3-2-8-16(12)11-4-6-14-7-5-11/h2-3,8,10-11,14,17H,4-7,9H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyLFCJVFXIBIPPOH-JTQLQIEISA-N
MW251.33 g/mol
LogP0.52
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide

N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 107221129) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID107221129
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C13H21N3O2/c1-10(17)9-15-13(18)12-3-2-8-16(12)11-4-6-14-7-5-11/h2-3,8,10-11,14,17H,4-7,9H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyLFCJVFXIBIPPOH-JTQLQIEISA-N
XLogP0.52
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
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-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
N-(4-amino-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115740642
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide (CID 107221129) is N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide is C[C@H](O)CNC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is LFCJVFXIBIPPOH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(17)9-15-13(18)12-3-2-8-16(12)11-4-6-14-7-5-11/h2-3,8,10-11,14,17H,4-7,9H2,1H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 107221129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).