4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one

C19H27N3O2 — CID 71891023

IUPAC4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN(Cc2ccccc2)C2CCCCC2)CCN1
InChIInChI=1S/C19H27N3O2/c23-18-14-21(12-11-20-18)19(24)15-22(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,23)
InChIKeyCLVSNPDYMZYXJR-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.78
Rot. Bonds5

About 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one

4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one (PubChem CID 71891023) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one
PubChem CID71891023
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN(Cc2ccccc2)C2CCCCC2)CCN1
InChIInChI=1S/C19H27N3O2/c23-18-14-21(12-11-20-18)19(24)15-22(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,23)
InChIKeyCLVSNPDYMZYXJR-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
CID 34557661
4-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]piperazin-2-one
CID 60510014
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one
CID 56821521
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
4-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]acetyl]piperazin-2-one
CID 154749644
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8963237
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
N,N-dibenzylcyclobutanamine
CID 70822586
4-[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]piperazin-2-one
CID 52625077
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one (CID 71891023) is 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one is O=C1CN(C(=O)CN(Cc2ccccc2)C2CCCCC2)CCN1.
What is the InChIKey of 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one?
The InChIKey is CLVSNPDYMZYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18-14-21(12-11-20-18)19(24)15-22(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,23).
What are the key properties of 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one?
4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one is sourced from PubChem (CID 71891023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).