6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one

C17H27Cl2N3O4 — CID 167323545

IUPAC6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one
SMILESN[C@H](C1CCN(C(=O)C2CNC(=O)CO2)CC1)C1CC(Cl)C(Cl)CC1O
InChIInChI=1S/C17H27Cl2N3O4/c18-11-5-10(13(23)6-12(11)19)16(20)9-1-3-22(4-2-9)17(25)14-7-21-15(24)8-26-14/h9-14,16,23H,1-8,20H2,(H,21,24)/t10?,11?,12?,13?,14?,16-/m1/s1
InChIKeyULAROMRGFSWIIR-ALBOGACASA-N
MW408.33 g/mol
LogP0.05
Rot. Bonds3

About 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one

6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one (PubChem CID 167323545) has the molecular formula C17H27Cl2N3O4 and a molecular weight of 408.33 g/mol. Its IUPAC name is 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one
PubChem CID167323545
Molecular FormulaC17H27Cl2N3O4
Molecular Weight408.33 g/mol
Exact Mass407.14
IUPAC Name6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one
SMILESN[C@H](C1CCN(C(=O)C2CNC(=O)CO2)CC1)C1CC(Cl)C(Cl)CC1O
InChIInChI=1S/C17H27Cl2N3O4/c18-11-5-10(13(23)6-12(11)19)16(20)9-1-3-22(4-2-9)17(25)14-7-21-15(24)8-26-14/h9-14,16,23H,1-8,20H2,(H,21,24)/t10?,11?,12?,13?,14?,16-/m1/s1
InChIKeyULAROMRGFSWIIR-ALBOGACASA-N
XLogP0.05
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one?
The IUPAC name of 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one (CID 167323545) is 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one?
The canonical SMILES for 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one is N[C@H](C1CCN(C(=O)C2CNC(=O)CO2)CC1)C1CC(Cl)C(Cl)CC1O.
What is the InChIKey of 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one?
The InChIKey is ULAROMRGFSWIIR-ALBOGACASA-N. The full InChI is InChI=1S/C17H27Cl2N3O4/c18-11-5-10(13(23)6-12(11)19)16(20)9-1-3-22(4-2-9)17(25)14-7-21-15(24)8-26-14/h9-14,16,23H,1-8,20H2,(H,21,24)/t10?,11?,12?,13?,14?,16-/m1/s1.
What are the key properties of 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one?
6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one has a molecular weight of 408.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 167323545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).