piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C20H31N5O — CID 53170406

IUPACpiperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCCCC1
InChIInChI=1S/C20H31N5O/c26-20(25-11-5-2-6-12-25)17-7-13-24(14-8-17)19-15-18(21-16-22-19)23-9-3-1-4-10-23/h15-17H,1-14H2
InChIKeyDVGVYKXPCOBKGL-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.70
Rot. Bonds3

About piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 53170406) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID53170406
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Namepiperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCCCC1
InChIInChI=1S/C20H31N5O/c26-20(25-11-5-2-6-12-25)17-7-13-24(14-8-17)19-15-18(21-16-22-19)23-9-3-1-4-10-23/h15-17H,1-14H2
InChIKeyDVGVYKXPCOBKGL-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 53170406) is piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is DVGVYKXPCOBKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c26-20(25-11-5-2-6-12-25)17-7-13-24(14-8-17)19-15-18(21-16-22-19)23-9-3-1-4-10-23/h15-17H,1-14H2.
What are the key properties of piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53170406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).