[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

C19H26N2O3 — CID 38490689

IUPAC[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1C
InChIInChI=1S/C19H26N2O3/c1-14-4-3-5-17(15(14)2)19(23)20-8-6-16(7-9-20)18(22)21-10-12-24-13-11-21/h3-5,16H,6-13H2,1-2H3
InChIKeyJNAJZUHRWVJRKP-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.01
Rot. Bonds2

About [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 38490689) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID38490689
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1C
InChIInChI=1S/C19H26N2O3/c1-14-4-3-5-17(15(14)2)19(23)20-8-6-16(7-9-20)18(22)21-10-12-24-13-11-21/h3-5,16H,6-13H2,1-2H3
InChIKeyJNAJZUHRWVJRKP-UHFFFAOYSA-N
XLogP2.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490741
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 138379726
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(2-methyl-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171362080
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 38490689) is [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is Cc1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1C.
What is the InChIKey of [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JNAJZUHRWVJRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-4-3-5-17(15(14)2)19(23)20-8-6-16(7-9-20)18(22)21-10-12-24-13-11-21/h3-5,16H,6-13H2,1-2H3.
What are the key properties of [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38490689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).