[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

C20H22N4O2 — CID 110815350

IUPAC[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c2ccccc2n1C
InChIInChI=1S/C20H22N4O2/c1-14-18(16-5-3-4-6-17(16)22(14)2)20(26)24-11-9-23(10-12-24)19(25)15-7-8-21-13-15/h3-8,13,21H,9-12H2,1-2H3
InChIKeyWNXZBUMKJKFQAF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.41
Rot. Bonds2

About [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 110815350) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID110815350
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c2ccccc2n1C
InChIInChI=1S/C20H22N4O2/c1-14-18(16-5-3-4-6-17(16)22(14)2)20(26)24-11-9-23(10-12-24)19(25)15-7-8-21-13-15/h3-8,13,21H,9-12H2,1-2H3
InChIKeyWNXZBUMKJKFQAF-UHFFFAOYSA-N
XLogP2.41
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124992841

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 110815350) is [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is Cc1c(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c2ccccc2n1C.
What is the InChIKey of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is WNXZBUMKJKFQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-18(16-5-3-4-6-17(16)22(14)2)20(26)24-11-9-23(10-12-24)19(25)15-7-8-21-13-15/h3-8,13,21H,9-12H2,1-2H3.
What are the key properties of [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 110815350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).