2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

C17H27N5O2 — CID 45196231

IUPAC2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2C(=O)NCCN2C2CCCC2)[nH]1
InChIInChI=1S/C17H27N5O2/c1-12-10-19-15(20-12)11-21(2)16(23)9-14-17(24)18-7-8-22(14)13-5-3-4-6-13/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20)
InChIKeySYSLUBBPJHNWEF-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.81
Rot. Bonds5

About 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (PubChem CID 45196231) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
PubChem CID45196231
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2C(=O)NCCN2C2CCCC2)[nH]1
InChIInChI=1S/C17H27N5O2/c1-12-10-19-15(20-12)11-21(2)16(23)9-14-17(24)18-7-8-22(14)13-5-3-4-6-13/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20)
InChIKeySYSLUBBPJHNWEF-UHFFFAOYSA-N
XLogP0.81
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (CID 45196231) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is Cc1cnc(CN(C)C(=O)CC2C(=O)NCCN2C2CCCC2)[nH]1.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The InChIKey is SYSLUBBPJHNWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-10-19-15(20-12)11-21(2)16(23)9-14-17(24)18-7-8-22(14)13-5-3-4-6-13/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 45196231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).