[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium

C17H32N3O2+ — CID 6941406

IUPAC[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-13(2)15(18)17(22)20-11-9-19(10-12-20)16(21)14-7-5-4-6-8-14/h13-15H,3-12,18H2,1-2H3/p+1/t13-,15-/m1/s1
InChIKeyGDNPLQGHHJVAAQ-UKRRQHHQSA-O
MW310.46 g/mol
LogP0.89
Rot. Bonds4

About [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium

[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium (PubChem CID 6941406) has the molecular formula C17H32N3O2+ and a molecular weight of 310.46 g/mol. Its IUPAC name is [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
PubChem CID6941406
Molecular FormulaC17H32N3O2+
Molecular Weight310.46 g/mol
Exact Mass310.25
IUPAC Name[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-13(2)15(18)17(22)20-11-9-19(10-12-20)16(21)14-7-5-4-6-8-14/h13-15H,3-12,18H2,1-2H3/p+1/t13-,15-/m1/s1
InChIKeyGDNPLQGHHJVAAQ-UKRRQHHQSA-O
XLogP0.89
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium with MolForge

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Related Compounds

aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
CID 7452509
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium (CID 6941406) is [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium is CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is GDNPLQGHHJVAAQ-UKRRQHHQSA-O. The full InChI is InChI=1S/C17H31N3O2/c1-3-13(2)15(18)17(22)20-11-9-19(10-12-20)16(21)14-7-5-4-6-8-14/h13-15H,3-12,18H2,1-2H3/p+1/t13-,15-/m1/s1.
What are the key properties of [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 310.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 6941406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).