1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

C24H32N2O4 — CID 46775352

IUPAC1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H32N2O4/c1-17-5-7-18(8-6-17)16-26-11-9-20(10-12-26)24(27)25-15-19-13-21(28-2)23(30-4)22(14-19)29-3/h5-8,13-14,20H,9-12,15-16H2,1-4H3,(H,25,27)
InChIKeyIXZFGZWQGURMFJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.55
Rot. Bonds8

About 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46775352) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46775352
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H32N2O4/c1-17-5-7-18(8-6-17)16-26-11-9-20(10-12-26)24(27)25-15-19-13-21(28-2)23(30-4)22(14-19)29-3/h5-8,13-14,20H,9-12,15-16H2,1-4H3,(H,25,27)
InChIKeyIXZFGZWQGURMFJ-UHFFFAOYSA-N
XLogP3.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775353
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38142690
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
1-[(2,3-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328376
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 38140791
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 46775352) is 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1cc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is IXZFGZWQGURMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17-5-7-18(8-6-17)16-26-11-9-20(10-12-26)24(27)25-15-19-13-21(28-2)23(30-4)22(14-19)29-3/h5-8,13-14,20H,9-12,15-16H2,1-4H3,(H,25,27).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46775352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).