N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H28N4O2 — CID 645094

IUPACN-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(C)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-12-16(24-2)21-18(19-13)22-10-8-14(9-11-22)17(23)20-15-6-4-3-5-7-15/h12,14-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyZTKLQHFVYFWXPD-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.46
Rot. Bonds4

About N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 645094) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID645094
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(C)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-13-12-16(24-2)21-18(19-13)22-10-8-14(9-11-22)17(23)20-15-6-4-3-5-7-15/h12,14-15H,3-11H2,1-2H3,(H,20,23)
InChIKeyZTKLQHFVYFWXPD-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 645094) is N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide is COc1cc(C)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is ZTKLQHFVYFWXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-12-16(24-2)21-18(19-13)22-10-8-14(9-11-22)17(23)20-15-6-4-3-5-7-15/h12,14-15H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 645094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).