N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

C23H28N2O5S — CID 126030935

IUPACN-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H28N2O5S/c1-28-19-12-16(13-20(29-2)21(19)30-3)23(27)25-10-8-15(9-11-25)22(26)24-17-6-5-7-18(14-17)31-4/h5-7,12-15H,8-11H2,1-4H3,(H,24,26)
InChIKeyRCVBBRGICOOQDH-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.93
Rot. Bonds7

About N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126030935) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID126030935
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H28N2O5S/c1-28-19-12-16(13-20(29-2)21(19)30-3)23(27)25-10-8-15(9-11-25)22(26)24-17-6-5-7-18(14-17)31-4/h5-7,12-15H,8-11H2,1-4H3,(H,24,26)
InChIKeyRCVBBRGICOOQDH-UHFFFAOYSA-N
XLogP3.93
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 1242733
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (CID 126030935) is N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc(OC)c1OC.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is RCVBBRGICOOQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-28-19-12-16(13-20(29-2)21(19)30-3)23(27)25-10-8-15(9-11-25)22(26)24-17-6-5-7-18(14-17)31-4/h5-7,12-15H,8-11H2,1-4H3,(H,24,26).
What are the key properties of N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126030935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).