N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide

C17H27N3O — CID 60806799

IUPACN-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C)ccc1C)C1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-20(15-7-9-18-10-8-15)12-17(21)19-16-11-13(2)5-6-14(16)3/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,19,21)
InChIKeyYASRTPLFIHVWFL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.32
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide

N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide (PubChem CID 60806799) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
PubChem CID60806799
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C)ccc1C)C1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-20(15-7-9-18-10-8-15)12-17(21)19-16-11-13(2)5-6-14(16)3/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,19,21)
InChIKeyYASRTPLFIHVWFL-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
N-(2-methoxy-5-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932950
2-[azetidin-3-yl(ethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 66181734
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807840
N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide (CID 60806799) is N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide is CCN(CC(=O)Nc1cc(C)ccc1C)C1CCNCC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The InChIKey is YASRTPLFIHVWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(15-7-9-18-10-8-15)12-17(21)19-16-11-13(2)5-6-14(16)3/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 60806799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).