1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride

C17H33ClN4O2 — CID 120914078

IUPAC1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride
SMILESCN1CCN(C(=O)CCNC2CCCC2C2COCCN2)CC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-20-8-10-21(11-9-20)17(22)5-6-18-15-4-2-3-14(15)16-13-23-12-7-19-16;/h14-16,18-19H,2-13H2,1H3;1H
InChIKeyVGIRISSROKSBNK-UHFFFAOYSA-N
MW360.93 g/mol
LogP0.32
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride

1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride (PubChem CID 120914078) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride
PubChem CID120914078
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride
SMILESCN1CCN(C(=O)CCNC2CCCC2C2COCCN2)CC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-20-8-10-21(11-9-20)17(22)5-6-18-15-4-2-3-14(15)16-13-23-12-7-19-16;/h14-16,18-19H,2-13H2,1H3;1H
InChIKeyVGIRISSROKSBNK-UHFFFAOYSA-N
XLogP0.32
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride with MolForge

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Related Compounds

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915656
N-tert-butyl-2-[(2-morpholin-3-ylcyclopentyl)amino]acetamide;hydrochloride
CID 120915044
1-methyl-N-(2-morpholin-3-ylcyclopentyl)piperidin-4-amine;hydrochloride
CID 120914710
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
N-(2-tert-butylsulfonylethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916306
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 120914013
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine
CID 120915133
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915929
2-morpholin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 120914007
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916417
N-(cyclohexylmethyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120914381

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride (CID 120914078) is 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride is CN1CCN(C(=O)CCNC2CCCC2C2COCCN2)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride?
The InChIKey is VGIRISSROKSBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-20-8-10-21(11-9-20)17(22)5-6-18-15-4-2-3-14(15)16-13-23-12-7-19-16;/h14-16,18-19H,2-13H2,1H3;1H.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride?
1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-1-one;hydrochloride is sourced from PubChem (CID 120914078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).