N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide

C18H28N4O3 — CID 4152220

IUPACN-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-24-15-12-16(25-2)21-18(20-15)22-10-8-13(9-11-22)17(23)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,23)
InChIKeyLSUKCHWOEKGZNB-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.16
Rot. Bonds5

About N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 4152220) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID4152220
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-24-15-12-16(25-2)21-18(20-15)22-10-8-13(9-11-22)17(23)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,23)
InChIKeyLSUKCHWOEKGZNB-UHFFFAOYSA-N
XLogP2.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide (CID 4152220) is N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide is COc1cc(OC)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is LSUKCHWOEKGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-15-12-16(25-2)21-18(20-15)22-10-8-13(9-11-22)17(23)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,23).
What are the key properties of N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 4152220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).