1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C21H28N4O2S — CID 56540283

IUPAC1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(C(=O)N1CCCC(C(=O)Nc2nccs2)C1)c1ccccc1
InChIInChI=1S/C21H28N4O2S/c1-3-24(4-2)18(16-9-6-5-7-10-16)20(27)25-13-8-11-17(15-25)19(26)23-21-22-12-14-28-21/h5-7,9-10,12,14,17-18H,3-4,8,11,13,15H2,1-2H3,(H,22,23,26)
InChIKeyYBSJAJNVHARAML-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.40
Rot. Bonds7

About 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 56540283) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID56540283
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(C(=O)N1CCCC(C(=O)Nc2nccs2)C1)c1ccccc1
InChIInChI=1S/C21H28N4O2S/c1-3-24(4-2)18(16-9-6-5-7-10-16)20(27)25-13-8-11-17(15-25)19(26)23-21-22-12-14-28-21/h5-7,9-10,12,14,17-18H,3-4,8,11,13,15H2,1-2H3,(H,22,23,26)
InChIKeyYBSJAJNVHARAML-UHFFFAOYSA-N
XLogP3.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56506488
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959519
2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396244
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 119594160
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-[2-[(3,5-dimethylbenzoyl)amino]acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 56540283) is 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is CCN(CC)C(C(=O)N1CCCC(C(=O)Nc2nccs2)C1)c1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is YBSJAJNVHARAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-3-24(4-2)18(16-9-6-5-7-10-16)20(27)25-13-8-11-17(15-25)19(26)23-21-22-12-14-28-21/h5-7,9-10,12,14,17-18H,3-4,8,11,13,15H2,1-2H3,(H,22,23,26).
What are the key properties of 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56540283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).