[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone

C20H24N2O3 — CID 95378554

IUPAC[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
SMILESCCOC[C@H]1CCCN(C(=O)c2ccnc(Oc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O3/c1-2-24-15-16-7-6-12-22(14-16)20(23)17-10-11-21-19(13-17)25-18-8-4-3-5-9-18/h3-5,8-11,13,16H,2,6-7,12,14-15H2,1H3/t16-/m0/s1
InChIKeyYKHBXAMXVWEWML-INIZCTEOSA-N
MW340.42 g/mol
LogP3.76
Rot. Bonds6

About [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone

[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone (PubChem CID 95378554) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
PubChem CID95378554
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
SMILESCCOC[C@H]1CCCN(C(=O)c2ccnc(Oc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O3/c1-2-24-15-16-7-6-12-22(14-16)20(23)17-10-11-21-19(13-17)25-18-8-4-3-5-9-18/h3-5,8-11,13,16H,2,6-7,12,14-15H2,1H3/t16-/m0/s1
InChIKeyYKHBXAMXVWEWML-INIZCTEOSA-N
XLogP3.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[3-(ethoxymethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110416469
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
2-ethoxy-1-[3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 50846653
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone (CID 95378554) is [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone is CCOC[C@H]1CCCN(C(=O)c2ccnc(Oc3ccccc3)c2)C1.
What is the InChIKey of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
The InChIKey is YKHBXAMXVWEWML-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-15-16-7-6-12-22(14-16)20(23)17-10-11-21-19(13-17)25-18-8-4-3-5-9-18/h3-5,8-11,13,16H,2,6-7,12,14-15H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone is sourced from PubChem (CID 95378554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).