N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide

C16H25N3O — CID 60851256

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-12-4-5-13(2)15(10-12)14(3)18-16(20)11-19-8-6-17-7-9-19/h4-5,10,14,17H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyRMIVCPZRQIWAHZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide (PubChem CID 60851256) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
PubChem CID60851256
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-12-4-5-13(2)15(10-12)14(3)18-16(20)11-19-8-6-17-7-9-19/h4-5,10,14,17H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyRMIVCPZRQIWAHZ-UHFFFAOYSA-N
XLogP1.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 62839015
2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 51618800
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626837
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 124752230
N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 91841614
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 124755182
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 16549115
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide (CID 60851256) is N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide is Cc1ccc(C)c(C(C)NC(=O)CN2CCNCC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide?
The InChIKey is RMIVCPZRQIWAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-4-5-13(2)15(10-12)14(3)18-16(20)11-19-8-6-17-7-9-19/h4-5,10,14,17H,6-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60851256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).