ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide

C15H25N3O — CID 142082017

IUPACethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCC.Cc1ccccc1NC(=O)CN1CCNCC1
InChIInChI=1S/C13H19N3O.C2H6/c1-11-4-2-3-5-12(11)15-13(17)10-16-8-6-14-7-9-16;1-2/h2-5,14H,6-10H2,1H3,(H,15,17);1-2H3
InChIKeySBMNIOSYUIDETG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds3

About ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide

ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 142082017) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Nameethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
PubChem CID142082017
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Nameethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCC.Cc1ccccc1NC(=O)CN1CCNCC1
InChIInChI=1S/C13H19N3O.C2H6/c1-11-4-2-3-5-12(11)15-13(17)10-16-8-6-14-7-9-16;1-2/h2-5,14H,6-10H2,1H3,(H,15,17);1-2H3
InChIKeySBMNIOSYUIDETG-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2-ethylsulfonylphenyl)-2-piperazin-1-ylacetamide
CID 60850903
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
methyl 2-methyl-3-[(2-piperazin-1-ylacetyl)amino]benzoate
CID 60850740

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide (CID 142082017) is ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide is CC.Cc1ccccc1NC(=O)CN1CCNCC1.
What is the InChIKey of ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is SBMNIOSYUIDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C2H6/c1-11-4-2-3-5-12(11)15-13(17)10-16-8-6-14-7-9-16;1-2/h2-5,14H,6-10H2,1H3,(H,15,17);1-2H3.
What are the key properties of ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide?
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 142082017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).