1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C20H24N2O3 — CID 47071181

IUPAC1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCC(Oc3ccccc3)CC2)c1C
InChIInChI=1S/C20H24N2O3/c1-13-18(15(3)23)14(2)21-19(13)20(24)22-11-9-17(10-12-22)25-16-7-5-4-6-8-16/h4-8,17,21H,9-12H2,1-3H3
InChIKeyGYTUKVLNXBCOOE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.52
Rot. Bonds4

About 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 47071181) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID47071181
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCC(Oc3ccccc3)CC2)c1C
InChIInChI=1S/C20H24N2O3/c1-13-18(15(3)23)14(2)21-19(13)20(24)22-11-9-17(10-12-22)25-16-7-5-4-6-8-16/h4-8,17,21H,9-12H2,1-3H3
InChIKeyGYTUKVLNXBCOOE-UHFFFAOYSA-N
XLogP3.52
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
N-[1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080411
1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17396869
1-[2,4-dimethyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 7452668
(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119062680
(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833851
1-[2,4-dimethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 146123223
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
1-[2,4-dimethyl-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 47067621
1-[2,4-dimethyl-5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 94812298
1-[5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 42906984

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 47071181) is 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CCC(Oc3ccccc3)CC2)c1C.
What is the InChIKey of 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is GYTUKVLNXBCOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-18(15(3)23)14(2)21-19(13)20(24)22-11-9-17(10-12-22)25-16-7-5-4-6-8-16/h4-8,17,21H,9-12H2,1-3H3.
What are the key properties of 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 47071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).