N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide

C16H22ClN3O2 — CID 75381842

IUPACN-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CNc2cccc(C)c2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-11-5-3-7-14(16(11)17)18-9-15(22)20-8-4-6-13(10-20)19-12(2)21/h3,5,7,13,18H,4,6,8-10H2,1-2H3,(H,19,21)
InChIKeyIULBQRBFBVMHLK-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.19
Rot. Bonds4

About N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide

N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide (PubChem CID 75381842) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide
PubChem CID75381842
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CNc2cccc(C)c2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-11-5-3-7-14(16(11)17)18-9-15(22)20-8-4-6-13(10-20)19-12(2)21/h3,5,7,13,18H,4,6,8-10H2,1-2H3,(H,19,21)
InChIKeyIULBQRBFBVMHLK-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide (CID 75381842) is N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CNc2cccc(C)c2Cl)C1.
What is the InChIKey of N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide?
The InChIKey is IULBQRBFBVMHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-5-3-7-14(16(11)17)18-9-15(22)20-8-4-6-13(10-20)19-12(2)21/h3,5,7,13,18H,4,6,8-10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide?
N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide has a molecular weight of 323.82 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloro-3-methylanilino)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 75381842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).