1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide

C17H25N5O3 — CID 71830373

IUPAC1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCC(C)n1cc(N2CC(C(=O)N3CCC(C(N)=O)CC3)CC2=O)cn1
InChIInChI=1S/C17H25N5O3/c1-11(2)22-10-14(8-19-22)21-9-13(7-15(21)23)17(25)20-5-3-12(4-6-20)16(18)24/h8,10-13H,3-7,9H2,1-2H3,(H2,18,24)
InChIKeyLHZHZQJRKCCZLN-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.54
Rot. Bonds4

About 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide

1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 71830373) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID71830373
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCC(C)n1cc(N2CC(C(=O)N3CCC(C(N)=O)CC3)CC2=O)cn1
InChIInChI=1S/C17H25N5O3/c1-11(2)22-10-14(8-19-22)21-9-13(7-15(21)23)17(25)20-5-3-12(4-6-20)16(18)24/h8,10-13H,3-7,9H2,1-2H3,(H2,18,24)
InChIKeyLHZHZQJRKCCZLN-UHFFFAOYSA-N
XLogP0.54
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 71830373) is 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide is CC(C)n1cc(N2CC(C(=O)N3CCC(C(N)=O)CC3)CC2=O)cn1.
What is the InChIKey of 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is LHZHZQJRKCCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(2)22-10-14(8-19-22)21-9-13(7-15(21)23)17(25)20-5-3-12(4-6-20)16(18)24/h8,10-13H,3-7,9H2,1-2H3,(H2,18,24).
What are the key properties of 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 71830373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).