2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide

C17H27N3O — CID 43765633

IUPAC2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cccc(NC2CCN(CC(=O)N(C)C)CC2)c1C
InChIInChI=1S/C17H27N3O/c1-13-6-5-7-16(14(13)2)18-15-8-10-20(11-9-15)12-17(21)19(3)4/h5-7,15,18H,8-12H2,1-4H3
InChIKeyPMJCJOFDLQZFBL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 43765633) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID43765633
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cccc(NC2CCN(CC(=O)N(C)C)CC2)c1C
InChIInChI=1S/C17H27N3O/c1-13-6-5-7-16(14(13)2)18-15-8-10-20(11-9-15)12-17(21)19(3)4/h5-7,15,18H,8-12H2,1-4H3
InChIKeyPMJCJOFDLQZFBL-UHFFFAOYSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
N,N-dimethyl-2-[4-[(2-methyl-3-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79042062
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 66251667
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358
2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
CID 67480098
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N,N-dimethyl-2-[4-(4-methylphenoxy)piperidin-1-yl]acetamide
CID 167150972
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
4-[3-(dimethylamino)-3-oxopropyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 71917913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide (CID 43765633) is 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide is Cc1cccc(NC2CCN(CC(=O)N(C)C)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is PMJCJOFDLQZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-6-5-7-16(14(13)2)18-15-8-10-20(11-9-15)12-17(21)19(3)4/h5-7,15,18H,8-12H2,1-4H3.
What are the key properties of 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43765633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).