(6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C16H23ClN4O — CID 88574199

IUPAC(6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1c(Cl)ncnc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H23ClN4O/c1-12-14(18-11-19-15(12)17)16(22)21-9-5-13(6-10-21)20-7-3-2-4-8-20/h11,13H,2-10H2,1H3
InChIKeySWYLJSSDKTVMMF-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.53
Rot. Bonds2

About (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 88574199) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID88574199
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name(6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1c(Cl)ncnc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H23ClN4O/c1-12-14(18-11-19-15(12)17)16(22)21-9-5-13(6-10-21)20-7-3-2-4-8-20/h11,13H,2-10H2,1H3
InChIKeySWYLJSSDKTVMMF-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 88574199) is (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1c(Cl)ncnc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is SWYLJSSDKTVMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-12-14(18-11-19-15(12)17)16(22)21-9-5-13(6-10-21)20-7-3-2-4-8-20/h11,13H,2-10H2,1H3.
What are the key properties of (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 322.84 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-methylpyrimidin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 88574199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).