1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one

C15H22N4O2 — CID 110258819

IUPAC1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCn1cc(C(=O)N2CCCC(CN3CCCC3=O)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-17-11-13(8-16-17)15(21)19-7-2-4-12(10-19)9-18-6-3-5-14(18)20/h8,11-12H,2-7,9-10H2,1H3
InChIKeyBVLAVCKFUIHIRO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds3

About 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one

1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 110258819) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID110258819
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCn1cc(C(=O)N2CCCC(CN3CCCC3=O)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-17-11-13(8-16-17)15(21)19-7-2-4-12(10-19)9-18-6-3-5-14(18)20/h8,11-12H,2-7,9-10H2,1H3
InChIKeyBVLAVCKFUIHIRO-UHFFFAOYSA-N
XLogP0.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one (CID 110258819) is 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one is Cn1cc(C(=O)N2CCCC(CN3CCCC3=O)C2)cn1.
What is the InChIKey of 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is BVLAVCKFUIHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-11-13(8-16-17)15(21)19-7-2-4-12(10-19)9-18-6-3-5-14(18)20/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 110258819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).