2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone

C19H22N2O2 — CID 20889313

IUPAC2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)N1CCCCC1
InChIInChI=1S/C19H22N2O2/c1-15-8-3-4-9-16(15)19(23)17-10-7-13-21(17)14-18(22)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyXZLZKUYAMTXPAC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds4

About 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone

2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 20889313) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
PubChem CID20889313
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)N1CCCCC1
InChIInChI=1S/C19H22N2O2/c1-15-8-3-4-9-16(15)19(23)17-10-7-13-21(17)14-18(22)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyXZLZKUYAMTXPAC-UHFFFAOYSA-N
XLogP3.04
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzoylpyridine
CID 7038
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Bupicomide
CID 31447
PARP Inhibitor XIV
CID 25113764
Piberaline
CID 65975
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone (CID 20889313) is 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone is Cc1ccccc1C(=O)c1cccn1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is XZLZKUYAMTXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-8-3-4-9-16(15)19(23)17-10-7-13-21(17)14-18(22)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3.
What are the key properties of 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 310.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 20889313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).