N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide

C16H25N3O — CID 66419821

IUPACN-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
SMILESCCN1CCCC(NCc2ccccc2NC(C)=O)C1
InChIInChI=1S/C16H25N3O/c1-3-19-10-6-8-15(12-19)17-11-14-7-4-5-9-16(14)18-13(2)20/h4-5,7,9,15,17H,3,6,8,10-12H2,1-2H3,(H,18,20)
InChIKeyKUFPAUAYFBTOKX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds5

About N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide

N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 66419821) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
PubChem CID66419821
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
SMILESCCN1CCCC(NCc2ccccc2NC(C)=O)C1
InChIInChI=1S/C16H25N3O/c1-3-19-10-6-8-15(12-19)17-11-14-7-4-5-9-16(14)18-13(2)20/h4-5,7,9,15,17H,3,6,8,10-12H2,1-2H3,(H,18,20)
InChIKeyKUFPAUAYFBTOKX-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
CID 66419635
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide (CID 66419821) is N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide is CCN1CCCC(NCc2ccccc2NC(C)=O)C1.
What is the InChIKey of N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is KUFPAUAYFBTOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-10-6-8-15(12-19)17-11-14-7-4-5-9-16(14)18-13(2)20/h4-5,7,9,15,17H,3,6,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide?
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 66419821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).