5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one

C21H31N3O2 — CID 53191741

IUPAC5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one
SMILESO=C(CC1CCCC1)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C21H31N3O2/c25-20-8-7-19(16-24(20)15-18-5-6-18)14-22-9-11-23(12-10-22)21(26)13-17-3-1-2-4-17/h7-8,16-18H,1-6,9-15H2
InChIKeyQLXZDAPOKRENIB-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.48
Rot. Bonds6

About 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one

5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one (PubChem CID 53191741) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one
PubChem CID53191741
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one
SMILESO=C(CC1CCCC1)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C21H31N3O2/c25-20-8-7-19(16-24(20)15-18-5-6-18)14-22-9-11-23(12-10-22)21(26)13-17-3-1-2-4-17/h7-8,16-18H,1-6,9-15H2
InChIKeyQLXZDAPOKRENIB-UHFFFAOYSA-N
XLogP2.48
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one?
The IUPAC name of 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one (CID 53191741) is 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one.
What is the SMILES notation for 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one?
The canonical SMILES for 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one is O=C(CC1CCCC1)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1.
What is the InChIKey of 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one?
The InChIKey is QLXZDAPOKRENIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20-8-7-19(16-24(20)15-18-5-6-18)14-22-9-11-23(12-10-22)21(26)13-17-3-1-2-4-17/h7-8,16-18H,1-6,9-15H2.
What are the key properties of 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one?
5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one has a molecular weight of 357.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-1-(cyclopropylmethyl)pyridin-2-one is sourced from PubChem (CID 53191741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).