(4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

C17H26N4O — CID 53031050

IUPAC(4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-4-9-20(10-5-13)16(22)15-6-11-21(12-7-15)17-18-8-3-14(2)19-17/h3,8,13,15H,4-7,9-12H2,1-2H3
InChIKeyOJWZZNIYUGQQDK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.26
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 53031050) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID53031050
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-4-9-20(10-5-13)16(22)15-6-11-21(12-7-15)17-18-8-3-14(2)19-17/h3,8,13,15H,4-7,9-12H2,1-2H3
InChIKeyOJWZZNIYUGQQDK-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone (CID 53031050) is (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is Cc1ccnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is OJWZZNIYUGQQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-4-9-20(10-5-13)16(22)15-6-11-21(12-7-15)17-18-8-3-14(2)19-17/h3,8,13,15H,4-7,9-12H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53031050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).