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

C21H33N5O — CID 53170407

IUPAC(3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-17-6-5-11-26(15-17)21(27)18-7-12-25(13-8-18)20-14-19(22-16-23-20)24-9-3-2-4-10-24/h14,16-18H,2-13,15H2,1H3
InChIKeyDSDIEPFEXJJDKX-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.94
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 53170407) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID53170407
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name(3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-17-6-5-11-26(15-17)21(27)18-7-12-25(13-8-18)20-14-19(22-16-23-20)24-9-3-2-4-10-24/h14,16-18H,2-13,15H2,1H3
InChIKeyDSDIEPFEXJJDKX-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 53170407) is (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CC1CCCN(C(=O)C2CCN(c3cc(N4CCCCC4)ncn3)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is DSDIEPFEXJJDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-17-6-5-11-26(15-17)21(27)18-7-12-25(13-8-18)20-14-19(22-16-23-20)24-9-3-2-4-10-24/h14,16-18H,2-13,15H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53170407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).