1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide

C24H26N4O2 — CID 647340

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1
InChIInChI=1S/C24H26N4O2/c1-17-16-18(2)26-24(25-17)28-14-12-19(13-15-28)23(29)27-20-8-10-22(11-9-20)30-21-6-4-3-5-7-21/h3-11,16,19H,12-15H2,1-2H3,(H,27,29)
InChIKeyNWWICVJBMKOJAD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.74
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 647340) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID647340
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1
InChIInChI=1S/C24H26N4O2/c1-17-16-18(2)26-24(25-17)28-14-12-19(13-15-28)23(29)27-20-8-10-22(11-9-20)30-21-6-4-3-5-7-21/h3-11,16,19H,12-15H2,1-2H3,(H,27,29)
InChIKeyNWWICVJBMKOJAD-UHFFFAOYSA-N
XLogP4.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide (CID 647340) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NWWICVJBMKOJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-16-18(2)26-24(25-17)28-14-12-19(13-15-28)23(29)27-20-8-10-22(11-9-20)30-21-6-4-3-5-7-21/h3-11,16,19H,12-15H2,1-2H3,(H,27,29).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 647340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).