N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride

C15H30ClN3O — CID 119924112

IUPACN-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)NC2CCCCCC2)CC(C)N1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-12-9-18(10-13(2)16-12)11-15(19)17-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyHHJQRTHDFNFHAV-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.93
Rot. Bonds3

About N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride

N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119924112) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119924112
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC NameN-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)NC2CCCCCC2)CC(C)N1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-12-9-18(10-13(2)16-12)11-15(19)17-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyHHJQRTHDFNFHAV-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872768
N-(cyclopentylcarbamoyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63873098
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872002
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide
CID 60916989
2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616897
N-cyclohexyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66196372
2-(3,5-dimethylpiperazin-1-yl)-N-ethylacetamide
CID 63873526
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride (CID 119924112) is N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride is CC1CN(CC(=O)NC2CCCCCC2)CC(C)N1.Cl.
What is the InChIKey of N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is HHJQRTHDFNFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-12-9-18(10-13(2)16-12)11-15(19)17-14-7-5-3-4-6-8-14;/h12-14,16H,3-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride?
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119924112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).