1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate

C17H29NO5 — CID 58281328

IUPAC1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
SMILESCC(OC(=O)CC1CCN(C)CC1)OC(=O)OC1CCCCC1
InChIInChI=1S/C17H29NO5/c1-13(22-17(20)23-15-6-4-3-5-7-15)21-16(19)12-14-8-10-18(2)11-9-14/h13-15H,3-12H2,1-2H3
InChIKeyAUGYMUMCIXLVPR-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.09
Rot. Bonds5

About 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate

1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate (PubChem CID 58281328) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
PubChem CID58281328
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
SMILESCC(OC(=O)CC1CCN(C)CC1)OC(=O)OC1CCCCC1
InChIInChI=1S/C17H29NO5/c1-13(22-17(20)23-15-6-4-3-5-7-15)21-16(19)12-14-8-10-18(2)11-9-14/h13-15H,3-12H2,1-2H3
InChIKeyAUGYMUMCIXLVPR-UHFFFAOYSA-N
XLogP3.09
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017
(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
CID 142907839
1-cyclohexyloxycarbonyloxyethyl (3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 88979422
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
CID 11696129
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
1-cyclohexyloxycarbonyloxyethyl 3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 70110253
1-cyclohexyloxycarbonyloxyethyl 3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate;hydrochloride
CID 70110252
1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate
CID 141101491
propyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281270

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate?
The IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate (CID 58281328) is 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate.
What is the SMILES notation for 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate?
The canonical SMILES for 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate is CC(OC(=O)CC1CCN(C)CC1)OC(=O)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate?
The InChIKey is AUGYMUMCIXLVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-13(22-17(20)23-15-6-4-3-5-7-15)21-16(19)12-14-8-10-18(2)11-9-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate?
1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate has a molecular weight of 327.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 58281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).