1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone

C14H22N2O2 — CID 116564730

IUPAC1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H22N2O2/c1-11(2)18-10-14(17)13-4-3-9-16(13)12-5-7-15-8-6-12/h3-4,9,11-12,15H,5-8,10H2,1-2H3
InChIKeyBTLRFXPVQCVFAY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds5

About 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone

1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone (PubChem CID 116564730) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
PubChem CID116564730
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H22N2O2/c1-11(2)18-10-14(17)13-4-3-9-16(13)12-5-7-15-8-6-12/h3-4,9,11-12,15H,5-8,10H2,1-2H3
InChIKeyBTLRFXPVQCVFAY-UHFFFAOYSA-N
XLogP2.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
CID 116564797
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62717118
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
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-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone (CID 116564730) is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone?
The InChIKey is BTLRFXPVQCVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)18-10-14(17)13-4-3-9-16(13)12-5-7-15-8-6-12/h3-4,9,11-12,15H,5-8,10H2,1-2H3.
What are the key properties of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone?
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone has a molecular weight of 250.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116564730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).