N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide

C18H22N4O2 — CID 71865914

IUPACN-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc[nH]3)c2)CC1
InChIInChI=1S/C18H22N4O2/c1-21-8-10-22(11-9-21)17(23)13-14-4-2-5-15(12-14)20-18(24)16-6-3-7-19-16/h2-7,12,19H,8-11,13H2,1H3,(H,20,24)
InChIKeyCKNLQXLNMGGFIT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.58
Rot. Bonds4

About N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide

N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 71865914) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID71865914
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc[nH]3)c2)CC1
InChIInChI=1S/C18H22N4O2/c1-21-8-10-22(11-9-21)17(23)13-14-4-2-5-15(12-14)20-18(24)16-6-3-7-19-16/h2-7,12,19H,8-11,13H2,1H3,(H,20,24)
InChIKeyCKNLQXLNMGGFIT-UHFFFAOYSA-N
XLogP1.58
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 119899053
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119899019
2-(3-fluorophenyl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809742
2-(3-chlorophenyl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809768
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942534
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119899026
N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 28741153
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-(3-iodophenyl)-1H-pyrrole-2-carboxamide
CID 51210999
2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 159629366

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide (CID 71865914) is N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide is CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc[nH]3)c2)CC1.
What is the InChIKey of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CKNLQXLNMGGFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-8-10-22(11-9-21)17(23)13-14-4-2-5-15(12-14)20-18(24)16-6-3-7-19-16/h2-7,12,19H,8-11,13H2,1H3,(H,20,24).
What are the key properties of N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide?
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71865914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).