[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

C16H18N4O2 — CID 110803075

IUPAC[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C16H18N4O2/c1-18-7-4-14(12-18)16(22)20-10-8-19(9-11-20)15(21)13-2-5-17-6-3-13/h2-7,12H,8-11H2,1H3
InChIKeyWPVDBDRTFQRBOQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.02
Rot. Bonds2

About [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110803075) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID110803075
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCn1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C16H18N4O2/c1-18-7-4-14(12-18)16(22)20-10-8-19(9-11-20)15(21)13-2-5-17-6-3-13/h2-7,12H,8-11H2,1H3
InChIKeyWPVDBDRTFQRBOQ-UHFFFAOYSA-N
XLogP1.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-methylphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808065
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-methoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808183
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
cyclohexyl-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110801056
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762669
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(4-ethoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816656

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 110803075) is [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is Cn1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1.
What is the InChIKey of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is WPVDBDRTFQRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-18-7-4-14(12-18)16(22)20-10-8-19(9-11-20)15(21)13-2-5-17-6-3-13/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110803075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).