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

C18H27N3O3 — CID 53191738

IUPAC1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCOCC(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C18H27N3O3/c1-2-24-14-18(23)20-9-7-19(8-10-20)11-16-5-6-17(22)21(13-16)12-15-3-4-15/h5-6,13,15H,2-4,7-12,14H2,1H3
InChIKeyGFTJCSSLBZYRDF-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.94
Rot. Bonds7

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

1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191738) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191738
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCCOCC(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1
InChIInChI=1S/C18H27N3O3/c1-2-24-14-18(23)20-9-7-19(8-10-20)11-16-5-6-17(22)21(13-16)12-15-3-4-15/h5-6,13,15H,2-4,7-12,14H2,1H3
InChIKeyGFTJCSSLBZYRDF-UHFFFAOYSA-N
XLogP0.94
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191738) is 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one is CCOCC(=O)N1CCN(Cc2ccc(=O)n(CC3CC3)c2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is GFTJCSSLBZYRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-24-14-18(23)20-9-7-19(8-10-20)11-16-5-6-17(22)21(13-16)12-15-3-4-15/h5-6,13,15H,2-4,7-12,14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one?
1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[[4-(2-ethoxyacetyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).