N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride

C14H28ClN3O — CID 119916512

IUPACN-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CNCCN1CC(=O)NC1CCCCCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-12-10-15-8-9-17(12)11-14(18)16-13-6-4-2-3-5-7-13;/h12-13,15H,2-11H2,1H3,(H,16,18);1H
InChIKeyYTMZDHSPRNIOLG-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.54
Rot. Bonds3

About N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride

N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119916512) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119916512
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC NameN-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CNCCN1CC(=O)NC1CCCCCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-12-10-15-8-9-17(12)11-14(18)16-13-6-4-2-3-5-7-13;/h12-13,15H,2-11H2,1H3,(H,16,18);1H
InChIKeyYTMZDHSPRNIOLG-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672633
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 55104253
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713214
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
CID 119473062
N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 69170462

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119916512) is N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is CC1CNCCN1CC(=O)NC1CCCCCC1.Cl.
What is the InChIKey of N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is YTMZDHSPRNIOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-12-10-15-8-9-17(12)11-14(18)16-13-6-4-2-3-5-7-13;/h12-13,15H,2-11H2,1H3,(H,16,18);1H.
What are the key properties of N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119916512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).