1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

C23H28N2O3S — CID 134803596

IUPAC1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCCSC)CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-28-21-6-4-3-5-20(21)17-7-9-19(10-8-17)23(27)25-14-11-18(12-15-25)22(26)24-13-16-29-2/h3-10,18H,11-16H2,1-2H3,(H,24,26)
InChIKeyQFTVKTFRCFYKAX-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.69
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide (PubChem CID 134803596) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
PubChem CID134803596
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCCSC)CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-28-21-6-4-3-5-20(21)17-7-9-19(10-8-17)23(27)25-14-11-18(12-15-25)22(26)24-13-16-29-2/h3-10,18H,11-16H2,1-2H3,(H,24,26)
InChIKeyQFTVKTFRCFYKAX-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 134802123
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38645004
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide (CID 134803596) is 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide is COc1ccccc1-c1ccc(C(=O)N2CCC(C(=O)NCCSC)CC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
The InChIKey is QFTVKTFRCFYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-28-21-6-4-3-5-20(21)17-7-9-19(10-8-17)23(27)25-14-11-18(12-15-25)22(26)24-13-16-29-2/h3-10,18H,11-16H2,1-2H3,(H,24,26).
What are the key properties of 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide?
1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)benzoyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134803596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).