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

C24H32N2O4 — CID 30137323

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CN1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H32N2O4/c1-28-21-7-5-4-6-20(21)17-26-14-11-19(12-15-26)24(27)25-13-10-18-8-9-22(29-2)23(16-18)30-3/h4-9,16,19H,10-15,17H2,1-3H3,(H,25,27)
InChIKeyBUZBYLIIHYOHSI-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.28
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 30137323) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID30137323
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CN1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C24H32N2O4/c1-28-21-7-5-4-6-20(21)17-26-14-11-19(12-15-26)24(27)25-13-10-18-8-9-22(29-2)23(16-18)30-3/h4-9,16,19H,10-15,17H2,1-3H3,(H,25,27)
InChIKeyBUZBYLIIHYOHSI-UHFFFAOYSA-N
XLogP3.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46765228
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 3932347
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18190934
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
1-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 20967816

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 30137323) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1CN1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BUZBYLIIHYOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-28-21-7-5-4-6-20(21)17-26-14-11-19(12-15-26)24(27)25-13-10-18-8-9-22(29-2)23(16-18)30-3/h4-9,16,19H,10-15,17H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.28, 9 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-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 30137323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).