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

C16H23ClN2O — CID 11471946

IUPAC2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1
InChIInChI=1S/C16H23ClN2O/c1-18(2)16(20)10-13-11-19(3)9-8-15(13)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyIGOIMDYNTJNYKK-DZGCQCFKSA-N
MW294.83 g/mol
LogP2.85
Rot. Bonds3

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

2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide (PubChem CID 11471946) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
PubChem CID11471946
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1
InChIInChI=1S/C16H23ClN2O/c1-18(2)16(20)10-13-11-19(3)9-8-15(13)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyIGOIMDYNTJNYKK-DZGCQCFKSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.85
H-Bond Donors ≤ 50
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,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide (CID 11471946) is 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1.
What is the InChIKey of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is IGOIMDYNTJNYKK-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-18(2)16(20)10-13-11-19(3)9-8-15(13)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of 2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide?
2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 294.83 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 11471946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).