cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride

C16H28ClN3O3 — CID 119755465

IUPACcyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCCCC1)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C16H27N3O3.ClH/c20-15(13-4-2-1-3-5-13)18-7-9-19(10-8-18)16(21)14-12-22-11-6-17-14;/h13-14,17H,1-12H2;1H
InChIKeyBQTLHULVOFFYND-UHFFFAOYSA-N
MW345.87 g/mol
LogP0.65
Rot. Bonds2

About cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride

cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119755465) has the molecular formula C16H28ClN3O3 and a molecular weight of 345.87 g/mol. Its IUPAC name is cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119755465
Molecular FormulaC16H28ClN3O3
Molecular Weight345.87 g/mol
Exact Mass345.18
IUPAC Namecyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCCCC1)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C16H27N3O3.ClH/c20-15(13-4-2-1-3-5-13)18-7-9-19(10-8-18)16(21)14-12-22-11-6-17-14;/h13-14,17H,1-12H2;1H
InChIKeyBQTLHULVOFFYND-UHFFFAOYSA-N
XLogP0.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
1-cyclohexyl-3-[1-(morpholine-3-carbonyl)piperidin-4-yl]urea;hydrochloride
CID 119750464
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 119808763
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
morpholin-4-yl-[1-(piperidine-2-carbonyl)piperidin-3-yl]methanone
CID 119277055
2-azaspiro[4.5]decan-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119805300

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119755465) is cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(C1CCCCC1)N1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is BQTLHULVOFFYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.ClH/c20-15(13-4-2-1-3-5-13)18-7-9-19(10-8-18)16(21)14-12-22-11-6-17-14;/h13-14,17H,1-12H2;1H.
What are the key properties of cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119755465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).