N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C22H30N2O3S — CID 3932347

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(Cc3sccc3C)CC2)cc1OC
InChIInChI=1S/C22H30N2O3S/c1-16-9-13-28-21(16)15-24-11-7-18(8-12-24)22(25)23-10-6-17-4-5-19(26-2)20(14-17)27-3/h4-5,9,13-14,18H,6-8,10-12,15H2,1-3H3,(H,23,25)
InChIKeyUAGQVDUAIZUNOY-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 3932347) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID3932347
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(Cc3sccc3C)CC2)cc1OC
InChIInChI=1S/C22H30N2O3S/c1-16-9-13-28-21(16)15-24-11-7-18(8-12-24)22(25)23-10-6-17-4-5-19(26-2)20(14-17)27-3/h4-5,9,13-14,18H,6-8,10-12,15H2,1-3H3,(H,23,25)
InChIKeyUAGQVDUAIZUNOY-UHFFFAOYSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30137323
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46765228
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18190934
N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 35269814
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
1-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 20967816
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 3932347) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(Cc3sccc3C)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UAGQVDUAIZUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-16-9-13-28-21(16)15-24-11-7-18(8-12-24)22(25)23-10-6-17-4-5-19(26-2)20(14-17)27-3/h4-5,9,13-14,18H,6-8,10-12,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3932347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).