[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone

C16H24N4O — CID 53009995

IUPAC[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C16H24N4O/c1-13-7-8-17-16(18-13)20-11-5-6-14(12-20)15(21)19-9-3-2-4-10-19/h7-8,14H,2-6,9-12H2,1H3
InChIKeyWRNHGBRYTPAKNO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds2

About [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone

[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 53009995) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID53009995
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccnc(N2CCCC(C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C16H24N4O/c1-13-7-8-17-16(18-13)20-11-5-6-14(12-20)15(21)19-9-3-2-4-10-19/h7-8,14H,2-6,9-12H2,1H3
InChIKeyWRNHGBRYTPAKNO-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 53009995) is [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone is Cc1ccnc(N2CCCC(C(=O)N3CCCCC3)C2)n1.
What is the InChIKey of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WRNHGBRYTPAKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-7-8-17-16(18-13)20-11-5-6-14(12-20)15(21)19-9-3-2-4-10-19/h7-8,14H,2-6,9-12H2,1H3.
What are the key properties of [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53009995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).