1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide

C16H27N3O2 — CID 62715930

IUPAC1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O2/c1-13(2)21-12-4-8-18-16(20)15-5-3-11-19(15)14-6-9-17-10-7-14/h3,5,11,13-14,17H,4,6-10,12H2,1-2H3,(H,18,20)
InChIKeyIFRWNEXMFJFBMF-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.96
Rot. Bonds7

About 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide

1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide (PubChem CID 62715930) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
PubChem CID62715930
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H27N3O2/c1-13(2)21-12-4-8-18-16(20)15-5-3-11-19(15)14-6-9-17-10-7-14/h3,5,11,13-14,17H,4,6-10,12H2,1-2H3,(H,18,20)
InChIKeyIFRWNEXMFJFBMF-UHFFFAOYSA-N
XLogP1.96
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
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

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide (CID 62715930) is 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide is CC(C)OCCCNC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide?
The InChIKey is IFRWNEXMFJFBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)21-12-4-8-18-16(20)15-5-3-11-19(15)14-6-9-17-10-7-14/h3,5,11,13-14,17H,4,6-10,12H2,1-2H3,(H,18,20).
What are the key properties of 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide?
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62715930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).