1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C20H24N4O3S — CID 55959519

IUPAC1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)NC(C)C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c1
InChIInChI=1S/C20H24N4O3S/c1-13-5-3-6-15(11-13)17(25)22-14(2)19(27)24-9-4-7-16(12-24)18(26)23-20-21-8-10-28-20/h3,5-6,8,10-11,14,16H,4,7,9,12H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyTUCVWTSEXFRMFU-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55959519) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55959519
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)NC(C)C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c1
InChIInChI=1S/C20H24N4O3S/c1-13-5-3-6-15(11-13)17(25)22-14(2)19(27)24-9-4-7-16(12-24)18(26)23-20-21-8-10-28-20/h3,5-6,8,10-11,14,16H,4,7,9,12H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyTUCVWTSEXFRMFU-UHFFFAOYSA-N
XLogP2.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
1-[2-[(3,5-dimethylbenzoyl)amino]acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818678
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56540283
N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 42469480
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810868
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
1-(3-methoxy-4-propan-2-yloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813505
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55959519) is 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cccc(C(=O)NC(C)C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c1.
What is the InChIKey of 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is TUCVWTSEXFRMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-5-3-6-15(11-13)17(25)22-14(2)19(27)24-9-4-7-16(12-24)18(26)23-20-21-8-10-28-20/h3,5-6,8,10-11,14,16H,4,7,9,12H2,1-2H3,(H,22,25)(H,21,23,26).
What are the key properties of 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55959519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).