1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

C23H31N3O — CID 119125867

IUPAC1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)cc1
InChIInChI=1S/C23H31N3O/c1-2-18-8-10-19(11-9-18)14-25-15-20-5-3-6-21(13-20)16-26-12-4-7-22(17-26)23(24)27/h3,5-6,8-11,13,22,25H,2,4,7,12,14-17H2,1H3,(H2,24,27)
InChIKeyDBFZGXFTXNUABW-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.24
Rot. Bonds8

About 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119125867) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119125867
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)cc1
InChIInChI=1S/C23H31N3O/c1-2-18-8-10-19(11-9-18)14-25-15-20-5-3-6-21(13-20)16-26-12-4-7-22(17-26)23(24)27/h3,5-6,8-11,13,22,25H,2,4,7,12,14-17H2,1H3,(H2,24,27)
InChIKeyDBFZGXFTXNUABW-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
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
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
1-[[3-[[(4-methylsulfanylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900668
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124684329
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805
1-[[3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 167825637

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 119125867) is 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is CCc1ccc(CNCc2cccc(CN3CCCC(C(N)=O)C3)c2)cc1.
What is the InChIKey of 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is DBFZGXFTXNUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-18-8-10-19(11-9-18)14-25-15-20-5-3-6-21(13-20)16-26-12-4-7-22(17-26)23(24)27/h3,5-6,8-11,13,22,25H,2,4,7,12,14-17H2,1H3,(H2,24,27).
What are the key properties of 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119125867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).