(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C18H25N5O2 — CID 42023582

IUPAC(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H25N5O2/c24-17-11-14(13-23(17)15-3-1-2-4-15)18(25)22-9-7-21(8-10-22)16-12-19-5-6-20-16/h5-6,12,14-15H,1-4,7-11,13H2/t14-/m0/s1
InChIKeyKFSXKETXJFHRHD-AWEZNQCLSA-N
MW343.43 g/mol
LogP0.92
Rot. Bonds3

About (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 42023582) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID42023582
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H25N5O2/c24-17-11-14(13-23(17)15-3-1-2-4-15)18(25)22-9-7-21(8-10-22)16-12-19-5-6-20-16/h5-6,12,14-15H,1-4,7-11,13H2/t14-/m0/s1
InChIKeyKFSXKETXJFHRHD-AWEZNQCLSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 42023582) is (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is KFSXKETXJFHRHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17-11-14(13-23(17)15-3-1-2-4-15)18(25)22-9-7-21(8-10-22)16-12-19-5-6-20-16/h5-6,12,14-15H,1-4,7-11,13H2/t14-/m0/s1.
What are the key properties of (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).