1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C22H28N4O — CID 651132

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C22H28N4O/c1-15-14-16(2)24-22(23-15)26-12-10-18(11-13-26)21(27)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,14,18,20H,5,7,9-13H2,1-2H3,(H,25,27)
InChIKeyMVDQDQQJDIVOQS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.50
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 651132) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID651132
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C22H28N4O/c1-15-14-16(2)24-22(23-15)26-12-10-18(11-13-26)21(27)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,14,18,20H,5,7,9-13H2,1-2H3,(H,25,27)
InChIKeyMVDQDQQJDIVOQS-UHFFFAOYSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 651132) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is MVDQDQQJDIVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15-14-16(2)24-22(23-15)26-12-10-18(11-13-26)21(27)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,14,18,20H,5,7,9-13H2,1-2H3,(H,25,27).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 651132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).