6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C16H15Cl2N3O3 — CID 156905886

IUPAC6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24)
InChIKeyBOEMYMIXDCTGER-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.39
Rot. Bonds2

About 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 156905886) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID156905886
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24)
InChIKeyBOEMYMIXDCTGER-UHFFFAOYSA-N
XLogP2.39
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 156905886) is 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BOEMYMIXDCTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24).
What are the key properties of 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 368.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156905886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).