N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide

C20H33N3O — CID 75472347

IUPACN,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(NC2CC(C)N(C)CC2C)cc1
InChIInChI=1S/C20H33N3O/c1-6-23(7-2)20(24)13-17-8-10-18(11-9-17)21-19-12-16(4)22(5)14-15(19)3/h8-11,15-16,19,21H,6-7,12-14H2,1-5H3
InChIKeyUDODZAFTJMVQBC-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.24
Rot. Bonds6

About N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide

N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide (PubChem CID 75472347) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide
PubChem CID75472347
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(NC2CC(C)N(C)CC2C)cc1
InChIInChI=1S/C20H33N3O/c1-6-23(7-2)20(24)13-17-8-10-18(11-9-17)21-19-12-16(4)22(5)14-15(19)3/h8-11,15-16,19,21H,6-7,12-14H2,1-5H3
InChIKeyUDODZAFTJMVQBC-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
CID 97332615
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
CID 75398577
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
[3-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]methanol
CID 43715216
2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
CID 60936196
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide
CID 64763046
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
5-methyl-N-(1,2,5-trimethylpiperidin-4-yl)pyridin-3-amine
CID 113354139
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide (CID 75472347) is N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide is CCN(CC)C(=O)Cc1ccc(NC2CC(C)N(C)CC2C)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide?
The InChIKey is UDODZAFTJMVQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-6-23(7-2)20(24)13-17-8-10-18(11-9-17)21-19-12-16(4)22(5)14-15(19)3/h8-11,15-16,19,21H,6-7,12-14H2,1-5H3.
What are the key properties of N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide?
N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide has a molecular weight of 331.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 75472347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).