[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone

C18H22N4O2 — CID 110814773

IUPAC[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-20(2)16-5-3-14(4-6-16)17(23)21-9-11-22(12-10-21)18(24)15-7-8-19-13-15/h3-8,13,19H,9-12H2,1-2H3
InChIKeyXASPPSYKQQEXDU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110814773) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110814773
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-20(2)16-5-3-14(4-6-16)17(23)21-9-11-22(12-10-21)18(24)15-7-8-19-13-15/h3-8,13,19H,9-12H2,1-2H3
InChIKeyXASPPSYKQQEXDU-UHFFFAOYSA-N
XLogP1.68
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
(4-propan-2-ylsulfanylphenyl)-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816823
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666244
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 43251681

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone (CID 110814773) is [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XASPPSYKQQEXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20(2)16-5-3-14(4-6-16)17(23)21-9-11-22(12-10-21)18(24)15-7-8-19-13-15/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110814773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).