N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide

C15H18Cl2N2O2 — CID 6457154

IUPACN-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-5-4-11(10-13(12)17)18-14(20)6-7-15(21)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9H2,(H,18,20)
InChIKeyRXTFZGZTVBDRQC-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.72
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide

N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide (PubChem CID 6457154) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide
PubChem CID6457154
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-12-5-4-11(10-13(12)17)18-14(20)6-7-15(21)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9H2,(H,18,20)
InChIKeyRXTFZGZTVBDRQC-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide (CID 6457154) is N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide is O=C(CCC(=O)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide?
The InChIKey is RXTFZGZTVBDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-5-4-11(10-13(12)17)18-14(20)6-7-15(21)19-8-2-1-3-9-19/h4-5,10H,1-3,6-9H2,(H,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide?
N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide has a molecular weight of 329.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-oxo-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 6457154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).