N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide

C15H21ClN2O2 — CID 81355328

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
SMILESC[C@@H](NC(=O)COC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11(12-2-4-13(16)5-3-12)18-15(19)10-20-14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyMEROQENSHCCKSO-LLVKDONJSA-N
MW296.80 g/mol
LogP2.29
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide (PubChem CID 81355328) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
PubChem CID81355328
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
SMILESC[C@@H](NC(=O)COC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11(12-2-4-13(16)5-3-12)18-15(19)10-20-14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyMEROQENSHCCKSO-LLVKDONJSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide (CID 81355328) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide is C[C@@H](NC(=O)COC1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide?
The InChIKey is MEROQENSHCCKSO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(12-2-4-13(16)5-3-12)18-15(19)10-20-14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 81355328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).