[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate

C19H26ClNO5 — CID 18104097

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCCC(C)C2)cc(Cl)c1OC(C)C
InChIInChI=1S/C19H26ClNO5/c1-12(2)26-18-15(20)8-14(9-16(18)24-4)19(23)25-11-17(22)21-7-5-6-13(3)10-21/h8-9,12-13H,5-7,10-11H2,1-4H3
InChIKeyIYZQNUQLCRYIAD-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.55
Rot. Bonds6

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate (PubChem CID 18104097) has the molecular formula C19H26ClNO5 and a molecular weight of 383.87 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
PubChem CID18104097
Molecular FormulaC19H26ClNO5
Molecular Weight383.87 g/mol
Exact Mass383.15
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCCC(C)C2)cc(Cl)c1OC(C)C
InChIInChI=1S/C19H26ClNO5/c1-12(2)26-18-15(20)8-14(9-16(18)24-4)19(23)25-11-17(22)21-7-5-6-13(3)10-21/h8-9,12-13H,5-7,10-11H2,1-4H3
InChIKeyIYZQNUQLCRYIAD-UHFFFAOYSA-N
XLogP3.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate with MolForge

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Related Compounds

[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253798
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125410
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711594
[2-(2-methylpropylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711741
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654353
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 11892412
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
(2R)-1-(3-chloro-5-methoxy-4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 125148834
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596245
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711704
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzoate
CID 2401543
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate (CID 18104097) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate is COc1cc(C(=O)OCC(=O)N2CCCC(C)C2)cc(Cl)c1OC(C)C.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is IYZQNUQLCRYIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO5/c1-12(2)26-18-15(20)8-14(9-16(18)24-4)19(23)25-11-17(22)21-7-5-6-13(3)10-21/h8-9,12-13H,5-7,10-11H2,1-4H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 383.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 18104097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).