1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C22H27N3O2S — CID 55895685

IUPAC1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)C3CCN(C(=O)C4CC4)CC3)nc2C)cc1
InChIInChI=1S/C22H27N3O2S/c1-14-3-5-16(6-4-14)13-19-15(2)23-22(28-19)24-20(26)17-9-11-25(12-10-17)21(27)18-7-8-18/h3-6,17-18H,7-13H2,1-2H3,(H,23,24,26)
InChIKeyKPJAWDPNPYVIRV-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.94
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 55895685) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID55895685
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)C3CCN(C(=O)C4CC4)CC3)nc2C)cc1
InChIInChI=1S/C22H27N3O2S/c1-14-3-5-16(6-4-14)13-19-15(2)23-22(28-19)24-20(26)17-9-11-25(12-10-17)21(27)18-7-8-18/h3-6,17-18H,7-13H2,1-2H3,(H,23,24,26)
InChIKeyKPJAWDPNPYVIRV-UHFFFAOYSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55896068
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
(2S,4R)-4-hydroxy-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 125153850
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836600
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
1-(cyclopropanecarbonyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 31154278
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 122150532
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 55895685) is 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(Cc2sc(NC(=O)C3CCN(C(=O)C4CC4)CC3)nc2C)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is KPJAWDPNPYVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-14-3-5-16(6-4-14)13-19-15(2)23-22(28-19)24-20(26)17-9-11-25(12-10-17)21(27)18-7-8-18/h3-6,17-18H,7-13H2,1-2H3,(H,23,24,26).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55895685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).