[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

C17H23N3O3 — CID 119700503

IUPAC[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESNc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C17H23N3O3/c18-15-5-3-13(4-6-15)16(21)20-7-1-2-14(12-20)17(22)19-8-10-23-11-9-19/h3-6,14H,1-2,7-12,18H2
InChIKeyUHZGKBPAIKQDEA-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.98
Rot. Bonds2

About [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 119700503) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID119700503
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESNc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C17H23N3O3/c18-15-5-3-13(4-6-15)16(21)20-7-1-2-14(12-20)17(22)19-8-10-23-11-9-19/h3-6,14H,1-2,7-12,18H2
InChIKeyUHZGKBPAIKQDEA-UHFFFAOYSA-N
XLogP0.98
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
CID 124568573
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 31006939
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 119700503) is [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone is Nc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is UHZGKBPAIKQDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-15-5-3-13(4-6-15)16(21)20-7-1-2-14(12-20)17(22)19-8-10-23-11-9-19/h3-6,14H,1-2,7-12,18H2.
What are the key properties of [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 119700503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).