1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide

C16H20Cl2N2O3 — CID 128985956

IUPAC1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O3/c1-11(21)20-7-3-6-16(23,10-20)15(22)19(2)9-12-4-5-13(17)14(18)8-12/h4-5,8,23H,3,6-7,9-10H2,1-2H3
InChIKeyNMJJDGBKKBAKLQ-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.33
Rot. Bonds3

About 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide

1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide (PubChem CID 128985956) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide
PubChem CID128985956
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O3/c1-11(21)20-7-3-6-16(23,10-20)15(22)19(2)9-12-4-5-13(17)14(18)8-12/h4-5,8,23H,3,6-7,9-10H2,1-2H3
InChIKeyNMJJDGBKKBAKLQ-UHFFFAOYSA-N
XLogP2.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide (CID 128985956) is 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide is CC(=O)N1CCCC(O)(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide?
The InChIKey is NMJJDGBKKBAKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-11(21)20-7-3-6-16(23,10-20)15(22)19(2)9-12-4-5-13(17)14(18)8-12/h4-5,8,23H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide?
1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide has a molecular weight of 359.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 128985956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).