4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine

C24H28N6 — CID 155568156

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
SMILESc1cncc(-c2cc(N3CCC(N4CCCCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H28N6/c1-2-13-29(14-3-1)21-8-15-30(16-9-21)23-17-22(20-5-4-10-26-18-20)27-24(28-23)19-6-11-25-12-7-19/h4-7,10-12,17-18,21H,1-3,8-9,13-16H2
InChIKeyBOFCVCZVPHYENU-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine

4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine (PubChem CID 155568156) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
PubChem CID155568156
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
SMILESc1cncc(-c2cc(N3CCC(N4CCCCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H28N6/c1-2-13-29(14-3-1)21-8-15-30(16-9-21)23-17-22(20-5-4-10-26-18-20)27-24(28-23)19-6-11-25-12-7-19/h4-7,10-12,17-18,21H,1-3,8-9,13-16H2
InChIKeyBOFCVCZVPHYENU-UHFFFAOYSA-N
XLogP4.06
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine (CID 155568156) is 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine is c1cncc(-c2cc(N3CCC(N4CCCCC4)CC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is BOFCVCZVPHYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-2-13-29(14-3-1)21-8-15-30(16-9-21)23-17-22(20-5-4-10-26-18-20)27-24(28-23)19-6-11-25-12-7-19/h4-7,10-12,17-18,21H,1-3,8-9,13-16H2.
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 400.53 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 155568156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).