[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

C18H23N3O5 — CID 38490741

IUPAC[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H23N3O5/c1-13-15(3-2-4-16(13)21(24)25)18(23)19-7-5-14(6-8-19)17(22)20-9-11-26-12-10-20/h2-4,14H,5-12H2,1H3
InChIKeySTUYFXUVWPAOJM-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.61
Rot. Bonds3

About [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 38490741) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID38490741
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H23N3O5/c1-13-15(3-2-4-16(13)21(24)25)18(23)19-7-5-14(6-8-19)17(22)20-9-11-26-12-10-20/h2-4,14H,5-12H2,1H3
InChIKeySTUYFXUVWPAOJM-UHFFFAOYSA-N
XLogP1.61
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 81469493
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 31058739
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
1-(2-morpholin-4-yl-3-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 120533899
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
(3-aminopiperidin-1-yl)-(2-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119377680
(2-methyl-3,5-dinitrophenyl)-morpholin-4-ylmethanone
CID 3642904
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 78849846
[2-(methylamino)-3-nitrophenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 112580603

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 38490741) is [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is STUYFXUVWPAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-13-15(3-2-4-16(13)21(24)25)18(23)19-7-5-14(6-8-19)17(22)20-9-11-26-12-10-20/h2-4,14H,5-12H2,1H3.
What are the key properties of [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 361.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38490741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).