(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone

C18H23N3O — CID 53014171

IUPAC(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccc3)cn2C)CC1
InChIInChI=1S/C18H23N3O/c1-3-20-9-11-21(12-10-20)18(22)17-13-16(14-19(17)2)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyYVHGYXZCONKXSZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.47
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone (PubChem CID 53014171) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
PubChem CID53014171
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccccc3)cn2C)CC1
InChIInChI=1S/C18H23N3O/c1-3-20-9-11-21(12-10-20)18(22)17-13-16(14-19(17)2)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyYVHGYXZCONKXSZ-UHFFFAOYSA-N
XLogP2.47
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one
CID 75362636
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
CID 71102379
(4-bromo-1-methylpyrrol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 43410970
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
3-[4-(4-chloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43522122
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone (CID 53014171) is (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone is CCN1CCN(C(=O)c2cc(-c3ccccc3)cn2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone?
The InChIKey is YVHGYXZCONKXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-20-9-11-21(12-10-20)18(22)17-13-16(14-19(17)2)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone is sourced from PubChem (CID 53014171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).