1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile

C23H29N5 — CID 72893361

IUPAC1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
SMILESCc1cc(C)nc(N2CCC(N3CCC(C#N)(c4ccccc4)CC3)CC2)n1
InChIInChI=1S/C23H29N5/c1-18-16-19(2)26-22(25-18)28-12-8-21(9-13-28)27-14-10-23(17-24,11-15-27)20-6-4-3-5-7-20/h3-7,16,21H,8-15H2,1-2H3
InChIKeyQGQFRPMJUPRBGB-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.62
Rot. Bonds3

About 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 72893361) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
PubChem CID72893361
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
SMILESCc1cc(C)nc(N2CCC(N3CCC(C#N)(c4ccccc4)CC3)CC2)n1
InChIInChI=1S/C23H29N5/c1-18-16-19(2)26-22(25-18)28-12-8-21(9-13-28)27-14-10-23(17-24,11-15-27)20-6-4-3-5-7-20/h3-7,16,21H,8-15H2,1-2H3
InChIKeyQGQFRPMJUPRBGB-UHFFFAOYSA-N
XLogP3.62
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile (CID 72893361) is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile is Cc1cc(C)nc(N2CCC(N3CCC(C#N)(c4ccccc4)CC3)CC2)n1.
What is the InChIKey of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is QGQFRPMJUPRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-18-16-19(2)26-22(25-18)28-12-8-21(9-13-28)27-14-10-23(17-24,11-15-27)20-6-4-3-5-7-20/h3-7,16,21H,8-15H2,1-2H3.
What are the key properties of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile?
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 375.52 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 72893361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).