2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone

C23H30N2O2 — CID 112841566

IUPAC2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(CC(=O)c3cccn3C)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17(2)15-18-6-8-19(9-7-18)23(27)20-10-13-25(14-11-20)16-22(26)21-5-4-12-24(21)3/h4-9,12,17,20H,10-11,13-16H2,1-3H3
InChIKeyPZHAGTFJBDFKJA-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.00
Rot. Bonds7

About 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone

2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 112841566) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID112841566
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(CC(=O)c3cccn3C)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-17(2)15-18-6-8-19(9-7-18)23(27)20-10-13-25(14-11-20)16-22(26)21-5-4-12-24(21)3/h4-9,12,17,20H,10-11,13-16H2,1-3H3
InChIKeyPZHAGTFJBDFKJA-UHFFFAOYSA-N
XLogP4.00
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55850203
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 60511176
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 51946728
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 55703742
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55739954

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone (CID 112841566) is 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone is CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)c3cccn3C)CC2)cc1.
What is the InChIKey of 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is PZHAGTFJBDFKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)15-18-6-8-19(9-7-18)23(27)20-10-13-25(14-11-20)16-22(26)21-5-4-12-24(21)3/h4-9,12,17,20H,10-11,13-16H2,1-3H3.
What are the key properties of 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 112841566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).