(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone

C22H27N3O2 — CID 24792021

IUPAC(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c26-22(18-8-10-21(11-9-18)24-13-15-27-16-14-24)25-12-4-7-20(17-25)23-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,4,7,12-17H2
InChIKeyYUBSUVZVWPDRFY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.24
Rot. Bonds4

About (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone

(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone (PubChem CID 24792021) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
PubChem CID24792021
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c26-22(18-8-10-21(11-9-18)24-13-15-27-16-14-24)25-12-4-7-20(17-25)23-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,4,7,12-17H2
InChIKeyYUBSUVZVWPDRFY-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-morpholin-4-ylphenyl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 129355029
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 42286883
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122033820
N-[4-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 153314247
[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119493758
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827

Frequently Asked Questions

What is the IUPAC name of (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone (CID 24792021) is (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone is O=C(c1ccc(N2CCOCC2)cc1)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is YUBSUVZVWPDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(18-8-10-21(11-9-18)24-13-15-27-16-14-24)25-12-4-7-20(17-25)23-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,4,7,12-17H2.
What are the key properties of (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone?
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 24792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).