N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide

C17H27N3O — CID 43724371

IUPACN-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
SMILESCCN1CCC(Nc2cccc(CN(C)C(C)=O)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-20-10-8-16(9-11-20)18-17-7-5-6-15(12-17)13-19(3)14(2)21/h5-7,12,16,18H,4,8-11,13H2,1-3H3
InChIKeyUWZCFJFBOJRDCW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.56
Rot. Bonds5

About N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide

N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide (PubChem CID 43724371) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
PubChem CID43724371
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
SMILESCCN1CCC(Nc2cccc(CN(C)C(C)=O)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-20-10-8-16(9-11-20)18-17-7-5-6-15(12-17)13-19(3)14(2)21/h5-7,12,16,18H,4,8-11,13H2,1-3H3
InChIKeyUWZCFJFBOJRDCW-UHFFFAOYSA-N
XLogP2.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
N-[3-(aminomethyl)phenyl]-1-ethylpiperidin-4-amine
CID 174624334
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
tert-butyl 4-[3-[[ethyl(methyl)amino]methyl]anilino]piperidine-1-carboxylate;ethane
CID 143307618
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
(3S)-3-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51956282
(9aR)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97022143

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide (CID 43724371) is N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide is CCN1CCC(Nc2cccc(CN(C)C(C)=O)c2)CC1.
What is the InChIKey of N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide?
The InChIKey is UWZCFJFBOJRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20-10-8-16(9-11-20)18-17-7-5-6-15(12-17)13-19(3)14(2)21/h5-7,12,16,18H,4,8-11,13H2,1-3H3.
What are the key properties of N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide?
N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 43724371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).