[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone

C18H26N2O3 — CID 124695881

IUPAC[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CNCCO3)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13-3-4-14(2)16(11-13)23-15-5-8-20(9-6-15)18(21)17-12-19-7-10-22-17/h3-4,11,15,17,19H,5-10,12H2,1-2H3/t17-/m0/s1
InChIKeyUEWHWNRTRZADHI-KRWDZBQOSA-N
MW318.42 g/mol
LogP1.66
Rot. Bonds3

About [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone

[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone (PubChem CID 124695881) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
PubChem CID124695881
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESCc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CNCCO3)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13-3-4-14(2)16(11-13)23-15-5-8-20(9-6-15)18(21)17-12-19-7-10-22-17/h3-4,11,15,17,19H,5-10,12H2,1-2H3/t17-/m0/s1
InChIKeyUEWHWNRTRZADHI-KRWDZBQOSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-difluorophenoxy)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119736591
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-spiro[2.5]octan-6-ylmethanone
CID 154877625
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 145375199
N-(5-methyl-2-pyridinyl)-1-(morpholine-2-carbonyl)piperidine-4-carboxamide;dihydrochloride
CID 119855179
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 110907581
2-amino-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-methylpentan-1-one
CID 119748409
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120927660
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone (CID 124695881) is [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone is Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CNCCO3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The InChIKey is UEWHWNRTRZADHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-3-4-14(2)16(11-13)23-15-5-8-20(9-6-15)18(21)17-12-19-7-10-22-17/h3-4,11,15,17,19H,5-10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone is sourced from PubChem (CID 124695881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).