(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone

C16H16Cl2N4O — CID 71292463

IUPAC(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone
SMILESNC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-2-1-10(7-13(12)18)14-8-15(21-9-20-14)16(23)22-5-3-11(19)4-6-22/h1-2,7-9,11H,3-6,19H2
InChIKeyDYDMKZZUYAUYKU-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.01
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone

(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone (PubChem CID 71292463) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone
PubChem CID71292463
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone
SMILESNC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-2-1-10(7-13(12)18)14-8-15(21-9-20-14)16(23)22-5-3-11(19)4-6-22/h1-2,7-9,11H,3-6,19H2
InChIKeyDYDMKZZUYAUYKU-UHFFFAOYSA-N
XLogP3.01
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone (CID 71292463) is (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone is NC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone?
The InChIKey is DYDMKZZUYAUYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-12-2-1-10(7-13(12)18)14-8-15(21-9-20-14)16(23)22-5-3-11(19)4-6-22/h1-2,7-9,11H,3-6,19H2.
What are the key properties of (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone?
(4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone has a molecular weight of 351.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 71292463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).