ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate

C19H27NO5 — CID 51969024

IUPACethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
SMILESCCCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1
InChIInChI=1S/C19H27NO5/c1-3-12-24-16-7-9-17(10-8-16)25-14-18(21)20-11-5-6-15(13-20)19(22)23-4-2/h7-10,15H,3-6,11-14H2,1-2H3/t15-/m0/s1
InChIKeyDSAHECPZLQHSLQ-HNNXBMFYSA-N
MW349.43 g/mol
LogP2.66
Rot. Bonds8

About ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate (PubChem CID 51969024) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
PubChem CID51969024
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
SMILESCCCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1
InChIInChI=1S/C19H27NO5/c1-3-12-24-16-7-9-17(10-8-16)25-14-18(21)20-11-5-6-15(13-20)19(22)23-4-2/h7-10,15H,3-6,11-14H2,1-2H3/t15-/m0/s1
InChIKeyDSAHECPZLQHSLQ-HNNXBMFYSA-N
XLogP2.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
CID 51969368
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl (3R)-1-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]acetyl]piperidine-3-carboxylate
CID 40933134
ethyl (3S)-1-[2-(2,4-dimethylphenoxy)acetyl]piperidine-3-carboxylate
CID 51969349
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate (CID 51969024) is ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate is CCCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1.
What is the InChIKey of ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is DSAHECPZLQHSLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-3-12-24-16-7-9-17(10-8-16)25-14-18(21)20-11-5-6-15(13-20)19(22)23-4-2/h7-10,15H,3-6,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 51969024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).