1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone

C18H28N2O — CID 96996485

IUPAC1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCCc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@H]2CC)cc1
InChIInChI=1S/C18H28N2O/c1-4-15-6-8-16(9-7-15)12-19-18-10-11-20(14(3)21)13-17(18)5-2/h6-9,17-19H,4-5,10-13H2,1-3H3/t17-,18-/m1/s1
InChIKeyRWTDLYPUALDLDF-QZTJIDSGSA-N
MW288.44 g/mol
LogP2.99
Rot. Bonds5

About 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone

1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 96996485) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID96996485
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCCc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@H]2CC)cc1
InChIInChI=1S/C18H28N2O/c1-4-15-6-8-16(9-7-15)12-19-18-10-11-20(14(3)21)13-17(18)5-2/h6-9,17-19H,4-5,10-13H2,1-3H3/t17-,18-/m1/s1
InChIKeyRWTDLYPUALDLDF-QZTJIDSGSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R,4S)-4-[(5-bromothiophen-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097451
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097440
1-[(3S,4S)-4-[(1-benzylpyrazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097630
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
CID 97097657
1-[3-ethyl-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethanone
CID 71927424
1-[(3S,4S)-3-ethyl-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethanone
CID 97097300
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71927405
1-[(3R,4R)-4-[[4-(azepan-1-yl)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093520
4-[[[(3R,4R)-1-acetyl-3-ethylpiperidin-4-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 97097305
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone (CID 96996485) is 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone is CCc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@H]2CC)cc1.
What is the InChIKey of 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is RWTDLYPUALDLDF-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15-6-8-16(9-7-15)12-19-18-10-11-20(14(3)21)13-17(18)5-2/h6-9,17-19H,4-5,10-13H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone?
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 96996485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).