1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one

C19H23N3O — CID 46981331

IUPAC1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccc3ccccc3n2)CCN1C1CCCC1
InChIInChI=1S/C19H23N3O/c23-19-14-21(11-12-22(19)17-6-2-3-7-17)13-16-10-9-15-5-1-4-8-18(15)20-16/h1,4-5,8-10,17H,2-3,6-7,11-14H2
InChIKeyUSDNYTGRNMUUEX-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.82
Rot. Bonds3

About 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one

1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one (PubChem CID 46981331) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
PubChem CID46981331
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccc3ccccc3n2)CCN1C1CCCC1
InChIInChI=1S/C19H23N3O/c23-19-14-21(11-12-22(19)17-6-2-3-7-17)13-16-10-9-15-5-1-4-8-18(15)20-16/h1,4-5,8-10,17H,2-3,6-7,11-14H2
InChIKeyUSDNYTGRNMUUEX-UHFFFAOYSA-N
XLogP2.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one (CID 46981331) is 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one is O=C1CN(Cc2ccc3ccccc3n2)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one?
The InChIKey is USDNYTGRNMUUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19-14-21(11-12-22(19)17-6-2-3-7-17)13-16-10-9-15-5-1-4-8-18(15)20-16/h1,4-5,8-10,17H,2-3,6-7,11-14H2.
What are the key properties of 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one?
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one has a molecular weight of 309.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 46981331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).