1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone

C20H31N3O2 — CID 97332541

IUPAC1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C20H31N3O2/c1-15-12-22(13-16(2)25-15)14-18-6-4-5-7-20(18)21-19-8-10-23(11-9-19)17(3)24/h4-7,15-16,19,21H,8-14H2,1-3H3/t15-,16+
InChIKeyZADZFCVQAMIMAZ-IYBDPMFKSA-N
MW345.49 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone

1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone (PubChem CID 97332541) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone
PubChem CID97332541
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C20H31N3O2/c1-15-12-22(13-16(2)25-15)14-18-6-4-5-7-20(18)21-19-8-10-23(11-9-19)17(3)24/h4-7,15-16,19,21H,8-14H2,1-3H3/t15-,16+
InChIKeyZADZFCVQAMIMAZ-IYBDPMFKSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]anilino]piperidin-1-yl]ethanone
CID 75471111
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone (CID 97332541) is 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone?
The InChIKey is ZADZFCVQAMIMAZ-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-12-22(13-16(2)25-15)14-18-6-4-5-7-20(18)21-19-8-10-23(11-9-19)17(3)24/h4-7,15-16,19,21H,8-14H2,1-3H3/t15-,16+.
What are the key properties of 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone?
1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 97332541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).