ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate

C18H25NO5 — CID 925118

IUPACethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H25NO5/c1-4-23-18(21)14-9-11-19(12-10-14)17(20)13(2)24-16-7-5-15(22-3)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyYNIZAYSOCHJMOA-ZDUSSCGKSA-N
MW335.40 g/mol
LogP2.26
Rot. Bonds6

About ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate

ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 925118) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID925118
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H25NO5/c1-4-23-18(21)14-9-11-19(12-10-14)17(20)13(2)24-16-7-5-15(22-3)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyYNIZAYSOCHJMOA-ZDUSSCGKSA-N
XLogP2.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 55378993
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate (CID 925118) is ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is YNIZAYSOCHJMOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-23-18(21)14-9-11-19(12-10-14)17(20)13(2)24-16-7-5-15(22-3)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate?
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 925118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).