N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide

C14H27N3O3 — CID 50950533

IUPACN-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C14H27N3O3/c1-4-6-16(8-9-18)13(19)10-12-14(20)15-5-7-17(12)11(2)3/h11-12,18H,4-10H2,1-3H3,(H,15,20)
InChIKeyYJURZVZZIWOCPY-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.18
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide

N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide (PubChem CID 50950533) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
PubChem CID50950533
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C14H27N3O3/c1-4-6-16(8-9-18)13(19)10-12-14(20)15-5-7-17(12)11(2)3/h11-12,18H,4-10H2,1-3H3,(H,15,20)
InChIKeyYJURZVZZIWOCPY-UHFFFAOYSA-N
XLogP-0.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide (CID 50950533) is N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide is CCCN(CCO)C(=O)CC1C(=O)NCCN1C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide?
The InChIKey is YJURZVZZIWOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-6-16(8-9-18)13(19)10-12-14(20)15-5-7-17(12)11(2)3/h11-12,18H,4-10H2,1-3H3,(H,15,20).
What are the key properties of N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide?
N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide has a molecular weight of 285.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-propylacetamide is sourced from PubChem (CID 50950533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).