2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide

C16H24ClN3O — CID 66251667

IUPAC2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cccc(Cl)c1NC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C16H24ClN3O/c1-12-5-4-6-14(17)16(12)18-13-7-9-20(10-8-13)11-15(21)19(2)3/h4-6,13,18H,7-11H2,1-3H3
InChIKeyCFESGZJUGBLRQU-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 66251667) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID66251667
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cccc(Cl)c1NC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C16H24ClN3O/c1-12-5-4-6-14(17)16(12)18-13-7-9-20(10-8-13)11-15(21)19(2)3/h4-6,13,18H,7-11H2,1-3H3
InChIKeyCFESGZJUGBLRQU-UHFFFAOYSA-N
XLogP2.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43765633
N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
CID 66251857
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958
N,N-dimethyl-2-[4-[(2-methyl-3-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79042062
2-[4-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 84598668
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296788
2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118784312
methyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754561
2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 136761458

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide (CID 66251667) is 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide is Cc1cccc(Cl)c1NC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is CFESGZJUGBLRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-5-4-6-14(17)16(12)18-13-7-9-20(10-8-13)11-15(21)19(2)3/h4-6,13,18H,7-11H2,1-3H3.
What are the key properties of 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 309.84 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 66251667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).