1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone

C22H30N4O2S — CID 165428508

IUPAC1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCCNc1nc(C2(c3ccccc3)CCN(C(=O)CN3CCOCC3)CC2)cs1
InChIInChI=1S/C22H30N4O2S/c1-2-23-21-24-19(17-29-21)22(18-6-4-3-5-7-18)8-10-26(11-9-22)20(27)16-25-12-14-28-15-13-25/h3-7,17H,2,8-16H2,1H3,(H,23,24)
InChIKeyVEJGQMDRUVONBT-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.82
Rot. Bonds6

About 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 165428508) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID165428508
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCCNc1nc(C2(c3ccccc3)CCN(C(=O)CN3CCOCC3)CC2)cs1
InChIInChI=1S/C22H30N4O2S/c1-2-23-21-24-19(17-29-21)22(18-6-4-3-5-7-18)8-10-26(11-9-22)20(27)16-25-12-14-28-15-13-25/h3-7,17H,2,8-16H2,1H3,(H,23,24)
InChIKeyVEJGQMDRUVONBT-UHFFFAOYSA-N
XLogP2.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-[2-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 165418289
1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 165428931
[4-[2-(butylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 165419116
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
2-(1,3-dimethylpyrazol-4-yl)-1-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]ethanone;formic acid
CID 166599346
4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 164696475
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 165427482
3-[3-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 165420685

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone (CID 165428508) is 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone is CCNc1nc(C2(c3ccccc3)CCN(C(=O)CN3CCOCC3)CC2)cs1.
What is the InChIKey of 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is VEJGQMDRUVONBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-2-23-21-24-19(17-29-21)22(18-6-4-3-5-7-18)8-10-26(11-9-22)20(27)16-25-12-14-28-15-13-25/h3-7,17H,2,8-16H2,1H3,(H,23,24).
What are the key properties of 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 414.58 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 165428508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).