methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate

C18H28N2O3 — CID 141177757

IUPACmethyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
SMILESCOC(=O)NCCO[C@@H](c1cc(C)cc(C)c1)C1CCCNC1
InChIInChI=1S/C18H28N2O3/c1-13-9-14(2)11-16(10-13)17(15-5-4-6-19-12-15)23-8-7-20-18(21)22-3/h9-11,15,17,19H,4-8,12H2,1-3H3,(H,20,21)/t15?,17-/m1/s1
InChIKeyVIHZGNAUYPVUEZ-OMOCHNIRSA-N
MW320.43 g/mol
LogP2.72
Rot. Bonds6

About methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate

methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate (PubChem CID 141177757) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
PubChem CID141177757
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namemethyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
SMILESCOC(=O)NCCO[C@@H](c1cc(C)cc(C)c1)C1CCCNC1
InChIInChI=1S/C18H28N2O3/c1-13-9-14(2)11-16(10-13)17(15-5-4-6-19-12-15)23-8-7-20-18(21)22-3/h9-11,15,17,19H,4-8,12H2,1-3H3,(H,20,21)/t15?,17-/m1/s1
InChIKeyVIHZGNAUYPVUEZ-OMOCHNIRSA-N
XLogP2.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 68715059
methyl N-[2-[(R)-(5-chloro-2-methylphenyl)-[(3R)-piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 68954194
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
3-[(3,5-difluorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carboxylic acid
CID 69262213
2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68711452
methyl N-[2-[(3-chlorophenyl)-[1-[(4-cyclohexylpiperidin-3-yl)carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
CID 68714135
methyl N-[2-[(R)-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
CID 70315941
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
benzyl N-[(2R)-3-cyclohexyl-2-[[5-[2-(methoxycarbonylamino)ethoxy-phenylmethyl]piperidine-3-carbonyl]amino]propyl]-N-methylcarbamate
CID 69262866

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate (CID 141177757) is methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate is COC(=O)NCCO[C@@H](c1cc(C)cc(C)c1)C1CCCNC1.
What is the InChIKey of methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
The InChIKey is VIHZGNAUYPVUEZ-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-9-14(2)11-16(10-13)17(15-5-4-6-19-12-15)23-8-7-20-18(21)22-3/h9-11,15,17,19H,4-8,12H2,1-3H3,(H,20,21)/t15?,17-/m1/s1.
What are the key properties of methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate?
methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(R)-(3,5-dimethylphenyl)-piperidin-3-ylmethoxy]ethyl]carbamate is sourced from PubChem (CID 141177757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).