(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one

C15H20Cl2N2O2 — CID 119333509

IUPAC(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(18)15(20)19-4-2-11(3-5-19)9-21-14-7-12(16)6-13(17)8-14/h6-8,10-11H,2-5,9,18H2,1H3/t10-/m0/s1
InChIKeyKJAPTMDEWZSZIC-JTQLQIEISA-N
MW331.24 g/mol
LogP2.96
Rot. Bonds4

About (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one (PubChem CID 119333509) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one
PubChem CID119333509
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(18)15(20)19-4-2-11(3-5-19)9-21-14-7-12(16)6-13(17)8-14/h6-8,10-11H,2-5,9,18H2,1H3/t10-/m0/s1
InChIKeyKJAPTMDEWZSZIC-JTQLQIEISA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(3-methylbutyl)piperidin-3-yl]acetamide
CID 46943257
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]acetamide
CID 46943260
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylbutyl)piperidin-3-yl]acetamide
CID 46943263
2-(4-chlorophenoxy)-N-((1-isopropylpiperidin-4-yl)methyl)acetamide
CID 16895415
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(2-methylpropyl)piperidin-3-yl]acetamide
CID 46943259
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylbutanamide
CID 79024600
2-Amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 86784427
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(3,5-dichlorophenoxy)propan-1-one
CID 124699525
N-[(2S)-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 164638460
2-(3-chloro-4-fluorophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55557091
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56276493
1-[3-(3-Chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxamide
CID 56812976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one (CID 119333509) is (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is KJAPTMDEWZSZIC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(18)15(20)19-4-2-11(3-5-19)9-21-14-7-12(16)6-13(17)8-14/h6-8,10-11H,2-5,9,18H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 331.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119333509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).