2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide

C15H21ClN2O — CID 11482918

IUPAC2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-17-15(19)9-12-10-18(2)8-7-14(12)11-3-5-13(16)6-4-11/h3-6,12,14H,7-10H2,1-2H3,(H,17,19)/t12-,14+/m0/s1
InChIKeyYUZKXUICGATZSE-GXTWGEPZSA-N
MW280.80 g/mol
LogP2.51
Rot. Bonds3

About 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide

2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide (PubChem CID 11482918) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide
PubChem CID11482918
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-17-15(19)9-12-10-18(2)8-7-14(12)11-3-5-13(16)6-4-11/h3-6,12,14H,7-10H2,1-2H3,(H,17,19)/t12-,14+/m0/s1
InChIKeyYUZKXUICGATZSE-GXTWGEPZSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide (CID 11482918) is 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide is CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide?
The InChIKey is YUZKXUICGATZSE-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-15(19)9-12-10-18(2)8-7-14(12)11-3-5-13(16)6-4-11/h3-6,12,14H,7-10H2,1-2H3,(H,17,19)/t12-,14+/m0/s1.
What are the key properties of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide?
2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide has a molecular weight of 280.80 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 11482918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).