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

C25H40N6O — CID 53170409

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H40N6O/c32-25(31-17-9-22(10-18-31)28-11-3-1-4-12-28)21-7-15-30(16-8-21)24-19-23(26-20-27-24)29-13-5-2-6-14-29/h19-22H,1-18H2
InChIKeyXXUBTIDZFNGQPV-UHFFFAOYSA-N
MW440.64 g/mol
LogP3.16
Rot. Bonds4

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

(4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 53170409) has the molecular formula C25H40N6O and a molecular weight of 440.64 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID53170409
Molecular FormulaC25H40N6O
Molecular Weight440.64 g/mol
Exact Mass440.33
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H40N6O/c32-25(31-17-9-22(10-18-31)28-11-3-1-4-12-28)21-7-15-30(16-8-21)24-19-23(26-20-27-24)29-13-5-2-6-14-29/h19-22H,1-18H2
InChIKeyXXUBTIDZFNGQPV-UHFFFAOYSA-N
XLogP3.16
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.64
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 53170409) is (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is XXUBTIDZFNGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N6O/c32-25(31-17-9-22(10-18-31)28-11-3-1-4-12-28)21-7-15-30(16-8-21)24-19-23(26-20-27-24)29-13-5-2-6-14-29/h19-22H,1-18H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 440.64 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53170409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).