N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide

C14H16Cl2N2O3 — CID 96570731

IUPACN-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(19)17-10-3-2-4-18(7-10)14(21)13-11(16)5-9(15)6-12(13)20/h5-6,10,20H,2-4,7H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyOTEZOEYJQOOHQZ-JTQLQIEISA-N
MW331.20 g/mol
LogP2.44
Rot. Bonds2

About N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide

N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide (PubChem CID 96570731) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
PubChem CID96570731
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(19)17-10-3-2-4-18(7-10)14(21)13-11(16)5-9(15)6-12(13)20/h5-6,10,20H,2-4,7H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyOTEZOEYJQOOHQZ-JTQLQIEISA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide (CID 96570731) is N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1.
What is the InChIKey of N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
The InChIKey is OTEZOEYJQOOHQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8(19)17-10-3-2-4-18(7-10)14(21)13-11(16)5-9(15)6-12(13)20/h5-6,10,20H,2-4,7H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide has a molecular weight of 331.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 96570731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).