1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide

C24H26N4O2 — CID 90519567

IUPAC1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)N(C)c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C24H26N4O2/c1-27(20-6-4-3-5-7-20)24(29)19-12-14-28(15-13-19)23-16-22(25-17-26-23)18-8-10-21(30-2)11-9-18/h3-11,16-17,19H,12-15H2,1-2H3
InChIKeySUOWHVUKECGTKD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.03
Rot. Bonds5

About 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 90519567) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID90519567
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)N(C)c4ccccc4)CC3)ncn2)cc1
InChIInChI=1S/C24H26N4O2/c1-27(20-6-4-3-5-7-20)24(29)19-12-14-28(15-13-19)23-16-22(25-17-26-23)18-8-10-21(30-2)11-9-18/h3-11,16-17,19H,12-15H2,1-2H3
InChIKeySUOWHVUKECGTKD-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide (CID 90519567) is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide is COc1ccc(-c2cc(N3CCC(C(=O)N(C)c4ccccc4)CC3)ncn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is SUOWHVUKECGTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27(20-6-4-3-5-7-20)24(29)19-12-14-28(15-13-19)23-16-22(25-17-26-23)18-8-10-21(30-2)11-9-18/h3-11,16-17,19H,12-15H2,1-2H3.
What are the key properties of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide?
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 90519567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).