(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one

C20H24N2O2 — CID 2462402

IUPAC(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O2/c1-16(20(23)22-14-8-3-9-15-22)21-18-12-6-7-13-19(18)24-17-10-4-2-5-11-17/h2,4-7,10-13,16,21H,3,8-9,14-15H2,1H3/t16-/m1/s1
InChIKeyLINIGLKLBPJYSU-MRXNPFEDSA-N
MW324.42 g/mol
LogP4.29
Rot. Bonds5

About (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one

(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 2462402) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID2462402
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
SMILESC[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O2/c1-16(20(23)22-14-8-3-9-15-22)21-18-12-6-7-13-19(18)24-17-10-4-2-5-11-17/h2,4-7,10-13,16,21H,3,8-9,14-15H2,1H3/t16-/m1/s1
InChIKeyLINIGLKLBPJYSU-MRXNPFEDSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 115596760
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline
CID 102867685
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one (CID 2462402) is (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one is C[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is LINIGLKLBPJYSU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(20(23)22-14-8-3-9-15-22)21-18-12-6-7-13-19(18)24-17-10-4-2-5-11-17/h2,4-7,10-13,16,21H,3,8-9,14-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one?
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2462402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).