1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone

C22H29N3O2 — CID 20858592

IUPAC1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
SMILESCCc1c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H29N3O2/c1-6-18-20(17(5)26)16(4)23-21(18)22(27)25-11-9-24(10-12-25)19-13-14(2)7-8-15(19)3/h7-8,13,23H,6,9-12H2,1-5H3
InChIKeyNNHWPPWYZSZFRP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.67
Rot. Bonds4

About 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone

1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone (PubChem CID 20858592) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
PubChem CID20858592
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
SMILESCCc1c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H29N3O2/c1-6-18-20(17(5)26)16(4)23-21(18)22(27)25-11-9-24(10-12-25)19-13-14(2)7-8-15(19)3/h7-8,13,23H,6,9-12H2,1-5H3
InChIKeyNNHWPPWYZSZFRP-UHFFFAOYSA-N
XLogP3.67
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone with MolForge

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Related Compounds

1-[4-ethyl-2-methyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 55821662
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
1-[4-ethyl-2-methyl-5-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 76885270
(3S,4S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952217
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
1-[5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55828446
1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17414454
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 119663008
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 71873940
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone (CID 20858592) is 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone is CCc1c(C(=O)N2CCN(c3cc(C)ccc3C)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is NNHWPPWYZSZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-18-20(17(5)26)16(4)23-21(18)22(27)25-11-9-24(10-12-25)19-13-14(2)7-8-15(19)3/h7-8,13,23H,6,9-12H2,1-5H3.
What are the key properties of 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone?
1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 367.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 20858592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).