(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone

C21H27N3O — CID 36677795

IUPAC(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C21H27N3O/c1-16-14-20(17(2)24(16)19-8-9-19)21(25)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3
InChIKeyQIXMNTUAKLGEIQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.40
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone (PubChem CID 36677795) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
PubChem CID36677795
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C21H27N3O/c1-16-14-20(17(2)24(16)19-8-9-19)21(25)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3
InChIKeyQIXMNTUAKLGEIQ-UHFFFAOYSA-N
XLogP3.40
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110880478
phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate
CID 110803594
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
2-(4-benzoylpiperazin-1-yl)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659197
benzyl 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110659115
(E)-2-(4-benzylpiperazine-1-carbonyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enenitrile
CID 24632316
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 17454186
ethyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809062
1-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815809
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 110815769
cyclopropyl-[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806548

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone (CID 36677795) is (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1C1CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone?
The InChIKey is QIXMNTUAKLGEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-14-20(17(2)24(16)19-8-9-19)21(25)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone has a molecular weight of 337.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 36677795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).