1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

C15H24N4O2 — CID 61110812

IUPAC1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)8-14(20)18-4-6-19(7-5-18)15(21)13-9-12(16)10-17(13)3/h9-11H,4-8,16H2,1-3H3
InChIKeyLKCJNWLNAWKRAA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.94
Rot. Bonds3

About 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 61110812) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID61110812
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)8-14(20)18-4-6-19(7-5-18)15(21)13-9-12(16)10-17(13)3/h9-11H,4-8,16H2,1-3H3
InChIKeyLKCJNWLNAWKRAA-UHFFFAOYSA-N
XLogP0.94
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 61110812) is 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)c2cc(N)cn2C)CC1.
What is the InChIKey of 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is LKCJNWLNAWKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)8-14(20)18-4-6-19(7-5-18)15(21)13-9-12(16)10-17(13)3/h9-11H,4-8,16H2,1-3H3.
What are the key properties of 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 61110812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).