1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone

C13H21N3OS — CID 97097657

IUPAC1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cscn1
InChIInChI=1S/C13H21N3OS/c1-3-11-7-16(10(2)17)5-4-13(11)14-6-12-8-18-9-15-12/h8-9,11,13-14H,3-7H2,1-2H3/t11-,13+/m1/s1
InChIKeyFTKPJGUTMOHVCY-YPMHNXCESA-N
MW267.40 g/mol
LogP1.88
Rot. Bonds4

About 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone

1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 97097657) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID97097657
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cscn1
InChIInChI=1S/C13H21N3OS/c1-3-11-7-16(10(2)17)5-4-13(11)14-6-12-8-18-9-15-12/h8-9,11,13-14H,3-7H2,1-2H3/t11-,13+/m1/s1
InChIKeyFTKPJGUTMOHVCY-YPMHNXCESA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71871926
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
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-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
CID 71927412
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97027015
4-[[[(3R,4R)-1-acetyl-3-ethylpiperidin-4-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 97097305
1-[(3S,4S)-4-[(1-benzylpyrazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097630
1-[(3S,4S)-3-ethyl-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethanone
CID 97097300
1-[3-ethyl-4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethanone
CID 71927424
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97121644

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone (CID 97097657) is 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone is CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cscn1.
What is the InChIKey of 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is FTKPJGUTMOHVCY-YPMHNXCESA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-11-7-16(10(2)17)5-4-13(11)14-6-12-8-18-9-15-12/h8-9,11,13-14H,3-7H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone?
1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 267.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 97097657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).