N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C17H22Cl2N2O3 — CID 164638460

IUPACN-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-11(20-12(2)22)17(23)21-5-3-13(4-6-21)10-24-16-8-14(18)7-15(19)9-16/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyUDMHXTQWYMWTKE-NSHDSACASA-N
MW373.28 g/mol
LogP3.14
Rot. Bonds5

About N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 164638460) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID164638460
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC NameN-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-11(20-12(2)22)17(23)21-5-3-13(4-6-21)10-24-16-8-14(18)7-15(19)9-16/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyUDMHXTQWYMWTKE-NSHDSACASA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 164638460) is N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is UDMHXTQWYMWTKE-NSHDSACASA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-11(20-12(2)22)17(23)21-5-3-13(4-6-21)10-24-16-8-14(18)7-15(19)9-16/h7-9,11,13H,3-6,10H2,1-2H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 373.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 164638460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).