(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

C16H23N3O2 — CID 158649732

IUPAC(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12,17H2
InChIKeyIBKADTFSGCCURF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds2

About (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 158649732) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID158649732
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H23N3O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12,17H2
InChIKeyIBKADTFSGCCURF-UHFFFAOYSA-N
XLogP1.21
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
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

(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
morpholin-4-yl-[4-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]methanone
CID 91828611
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 158649732) is (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is IBKADTFSGCCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12,17H2.
What are the key properties of (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 158649732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).