2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C19H31N5O3 — CID 95718517

IUPAC2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)n1
InChIInChI=1S/C19H31N5O3/c1-13(2)10-16-21-17(27-22-16)12-23(3)18(25)11-15-19(26)20-8-9-24(15)14-6-4-5-7-14/h13-15H,4-12H2,1-3H3,(H,20,26)/t15-/m1/s1
InChIKeyMWIJSRDNKRFKEW-OAHLLOKOSA-N
MW377.49 g/mol
LogP1.36
Rot. Bonds7

About 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 95718517) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID95718517
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)n1
InChIInChI=1S/C19H31N5O3/c1-13(2)10-16-21-17(27-22-16)12-23(3)18(25)11-15-19(26)20-8-9-24(15)14-6-4-5-7-14/h13-15H,4-12H2,1-3H3,(H,20,26)/t15-/m1/s1
InChIKeyMWIJSRDNKRFKEW-OAHLLOKOSA-N
XLogP1.36
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 95718517) is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(C)Cc1noc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)n1.
What is the InChIKey of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is MWIJSRDNKRFKEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-13(2)10-16-21-17(27-22-16)12-23(3)18(25)11-15-19(26)20-8-9-24(15)14-6-4-5-7-14/h13-15H,4-12H2,1-3H3,(H,20,26)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 95718517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).