2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

C14H22N4O — CID 95824567

IUPAC2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1cncnc1C1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C14H22N4O/c1-11-8-15-10-16-14(11)12-4-6-18(7-5-12)13(19)9-17(2)3/h8,10,12H,4-7,9H2,1-3H3
InChIKeyKCXONRVAFTYVNU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.05
Rot. Bonds3

About 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 95824567) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID95824567
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1cncnc1C1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C14H22N4O/c1-11-8-15-10-16-14(11)12-4-6-18(7-5-12)13(19)9-17(2)3/h8,10,12H,4-7,9H2,1-3H3
InChIKeyKCXONRVAFTYVNU-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 95824567) is 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is Cc1cncnc1C1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is KCXONRVAFTYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-8-15-10-16-14(11)12-4-6-18(7-5-12)13(19)9-17(2)3/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95824567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).