phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone

C16H18N2O — CID 2822452

IUPACphenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C16H18N2O/c19-16(14-6-2-1-3-7-14)18-12-8-15(9-13-18)17-10-4-5-11-17/h1-7,10-11,15H,8-9,12-13H2
InChIKeyWCCRRIQFIHVKFA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.97
Rot. Bonds2

About phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone

phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone (PubChem CID 2822452) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
PubChem CID2822452
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Namephenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(n2cccc2)CC1
InChIInChI=1S/C16H18N2O/c19-16(14-6-2-1-3-7-14)18-12-8-15(9-13-18)17-10-4-5-11-17/h1-7,10-11,15H,8-9,12-13H2
InChIKeyWCCRRIQFIHVKFA-UHFFFAOYSA-N
XLogP2.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyrrol-1-ylpiperidine-1-carboxylic acid
CID 118110284
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]piperidin-1-yl]-phenylmethanone
CID 121496541
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone (CID 2822452) is phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone is O=C(c1ccccc1)N1CCC(n2cccc2)CC1.
What is the InChIKey of phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The InChIKey is WCCRRIQFIHVKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(14-6-2-1-3-7-14)18-12-8-15(9-13-18)17-10-4-5-11-17/h1-7,10-11,15H,8-9,12-13H2.
What are the key properties of phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 2822452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).