1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone

C21H28N4O2 — CID 110815809

IUPAC1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3ccn(C)c3)CC2)c(C)n1C1CC1
InChIInChI=1S/C21H28N4O2/c1-15-12-19(16(2)25(15)18-4-5-18)21(27)24-10-8-23(9-11-24)20(26)13-17-6-7-22(3)14-17/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3
InChIKeyVRKYGDVRSRAVPB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone

1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone (PubChem CID 110815809) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
PubChem CID110815809
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)Cc3ccn(C)c3)CC2)c(C)n1C1CC1
InChIInChI=1S/C21H28N4O2/c1-15-12-19(16(2)25(15)18-4-5-18)21(27)24-10-8-23(9-11-24)20(26)13-17-6-7-22(3)14-17/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3
InChIKeyVRKYGDVRSRAVPB-UHFFFAOYSA-N
XLogP2.31
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone with MolForge

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Related Compounds

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110880478
(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 36677795
1-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110659082
4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carbaldehyde
CID 110698857
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 112823559
ethyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809062
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 110815769
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110804247
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807392
2,2-dimethyl-1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801545

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone (CID 110815809) is 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone is Cc1cc(C(=O)N2CCN(C(=O)Cc3ccn(C)c3)CC2)c(C)n1C1CC1.
What is the InChIKey of 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is VRKYGDVRSRAVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-12-19(16(2)25(15)18-4-5-18)21(27)24-10-8-23(9-11-24)20(26)13-17-6-7-22(3)14-17/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone?
1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 368.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110815809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).