[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone

C16H23Cl2N3O3 — CID 167323293

IUPAC[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
SMILESN[C@H](C1CCN(C(=O)c2cnoc2)CC1)C1CC(Cl)C(Cl)CC1O
InChIInChI=1S/C16H23Cl2N3O3/c17-12-5-11(14(22)6-13(12)18)15(19)9-1-3-21(4-2-9)16(23)10-7-20-24-8-10/h7-9,11-15,22H,1-6,19H2/t11?,12?,13?,14?,15-/m1/s1
InChIKeyIJEWXSNHHBDDRM-ZPWMNFGTSA-N
MW376.28 g/mol
LogP1.84
Rot. Bonds3

About [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone

[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 167323293) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
PubChem CID167323293
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone
SMILESN[C@H](C1CCN(C(=O)c2cnoc2)CC1)C1CC(Cl)C(Cl)CC1O
InChIInChI=1S/C16H23Cl2N3O3/c17-12-5-11(14(22)6-13(12)18)15(19)9-1-3-21(4-2-9)16(23)10-7-20-24-8-10/h7-9,11-15,22H,1-6,19H2/t11?,12?,13?,14?,15-/m1/s1
InChIKeyIJEWXSNHHBDDRM-ZPWMNFGTSA-N
XLogP1.84
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 167323433
[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 167323298
4-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 167323552
[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-piperazin-1-ylmethanone
CID 167323518
6-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]morpholin-3-one
CID 167323545
(2R)-1-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 167323392
2-[amino-[1-(oxan-4-yl)piperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol
CID 167323452
(4-methylpiperazin-1-yl)-(1,2-oxazol-4-yl)methanone
CID 110849739
2-[amino-[1-(4-methylcyclohexyl)sulfonylpiperidin-4-yl]methyl]-4,5-dichlorocyclohexan-1-ol
CID 167323294
(2-ethylpiperidin-1-yl)-(1,2-oxazol-4-yl)methanone
CID 110855862
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone (CID 167323293) is [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone is N[C@H](C1CCN(C(=O)c2cnoc2)CC1)C1CC(Cl)C(Cl)CC1O.
What is the InChIKey of [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
The InChIKey is IJEWXSNHHBDDRM-ZPWMNFGTSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3/c17-12-5-11(14(22)6-13(12)18)15(19)9-1-3-21(4-2-9)16(23)10-7-20-24-8-10/h7-9,11-15,22H,1-6,19H2/t11?,12?,13?,14?,15-/m1/s1.
What are the key properties of [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone?
[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 376.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 167323293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).