1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone

C22H32N2O5 — CID 42096484

IUPAC1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2CCO)c1
InChIInChI=1S/C22H32N2O5/c1-16(26)23-12-8-18(9-13-23)29-21-7-6-19(28-2)15-20(21)22(27)24-11-4-3-5-17(24)10-14-25/h6-7,15,17-18,25H,3-5,8-14H2,1-2H3/t17-/m0/s1
InChIKeyYQPSTVWZLRJRAW-KRWDZBQOSA-N
MW404.51 g/mol
LogP2.46
Rot. Bonds6

About 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone

1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone (PubChem CID 42096484) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
PubChem CID42096484
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2CCO)c1
InChIInChI=1S/C22H32N2O5/c1-16(26)23-12-8-18(9-13-23)29-21-7-6-19(28-2)15-20(21)22(27)24-11-4-3-5-17(24)10-14-25/h6-7,15,17-18,25H,3-5,8-14H2,1-2H3/t17-/m0/s1
InChIKeyYQPSTVWZLRJRAW-KRWDZBQOSA-N
XLogP2.46
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 80659468
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63765380
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 70714732
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 110887007
[2-(bromomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 80659839
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
[2-(2-chloroethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 112748279
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone (CID 42096484) is 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone is COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2CCO)c1.
What is the InChIKey of 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone?
The InChIKey is YQPSTVWZLRJRAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-16(26)23-12-8-18(9-13-23)29-21-7-6-19(28-2)15-20(21)22(27)24-11-4-3-5-17(24)10-14-25/h6-7,15,17-18,25H,3-5,8-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone?
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone has a molecular weight of 404.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 42096484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).