1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

C24H33N3O — CID 119125866

IUPAC1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)c(C)c1
InChIInChI=1S/C24H33N3O/c1-17-10-18(2)23(19(3)11-17)14-26-13-20-6-4-7-21(12-20)15-27-9-5-8-22(16-27)24(25)28/h4,6-7,10-12,22,26H,5,8-9,13-16H2,1-3H3,(H2,25,28)
InChIKeyXYZBZBUJTNVFGQ-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.60
Rot. Bonds7

About 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119125866) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119125866
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)c(C)c1
InChIInChI=1S/C24H33N3O/c1-17-10-18(2)23(19(3)11-17)14-26-13-20-6-4-7-21(12-20)15-27-9-5-8-22(16-27)24(25)28/h4,6-7,10-12,22,26H,5,8-9,13-16H2,1-3H3,(H2,25,28)
InChIKeyXYZBZBUJTNVFGQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124684329
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide
CID 95130786
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 119125866) is 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is Cc1cc(C)c(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)c(C)c1.
What is the InChIKey of 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is XYZBZBUJTNVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-17-10-18(2)23(19(3)11-17)14-26-13-20-6-4-7-21(12-20)15-27-9-5-8-22(16-27)24(25)28/h4,6-7,10-12,22,26H,5,8-9,13-16H2,1-3H3,(H2,25,28).
What are the key properties of 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119125866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).