1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H24N4O2 — CID 5100671

IUPAC1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H24N4O2/c1-13(2)21-14(6-7-16(21)22)17(23)20-11-9-19(10-12-20)15-5-3-4-8-18-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3
InChIKeyCMPNHXSJNNSVFD-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.13
Rot. Bonds3

About 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 5100671) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID5100671
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H24N4O2/c1-13(2)21-14(6-7-16(21)22)17(23)20-11-9-19(10-12-20)15-5-3-4-8-18-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3
InChIKeyCMPNHXSJNNSVFD-UHFFFAOYSA-N
XLogP1.13
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 5100671) is 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CMPNHXSJNNSVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)21-14(6-7-16(21)22)17(23)20-11-9-19(10-12-20)15-5-3-4-8-18-15/h3-5,8,13-14H,6-7,9-12H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 5100671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).