(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone

C17H24N2O2 — CID 121451758

IUPAC(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-14-4-6-15(7-5-14)17(20)19-8-2-3-16(13-19)18-9-11-21-12-10-18/h4-7,16H,2-3,8-13H2,1H3
InChIKeyPTRPWVFZZNLULN-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds2

About (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone

(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 121451758) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID121451758
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(N3CCOCC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-14-4-6-15(7-5-14)17(20)19-8-2-3-16(13-19)18-9-11-21-12-10-18/h4-7,16H,2-3,8-13H2,1H3
InChIKeyPTRPWVFZZNLULN-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
2-methyl-3-[(3S)-3-morpholin-4-ylazepane-1-carbonyl]benzoic acid
CID 166275818
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
morpholin-4-yl-[4-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]methanone
CID 91828611
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-(2-methylphenyl)phenyl]methanone
CID 99987199
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydrazinylphenyl)methanone
CID 79946058
(4-bromo-3-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115770446
(3-amino-4-methylphenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150370
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 55715422

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone (CID 121451758) is (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCCC(N3CCOCC3)C2)cc1.
What is the InChIKey of (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is PTRPWVFZZNLULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14-4-6-15(7-5-14)17(20)19-8-2-3-16(13-19)18-9-11-21-12-10-18/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone?
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 121451758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).