cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone

C17H26N4O2 — CID 56815250

IUPACcyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccnc(NC2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-23-15-7-10-18-17(20-15)19-14-8-11-21(12-9-14)16(22)13-5-3-2-4-6-13/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,20)
InChIKeyRWDWVXXOGCPXFG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.47
Rot. Bonds4

About cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone

cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 56815250) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID56815250
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Namecyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccnc(NC2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O2/c1-23-15-7-10-18-17(20-15)19-14-8-11-21(12-9-14)16(22)13-5-3-2-4-6-13/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,20)
InChIKeyRWDWVXXOGCPXFG-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone (CID 56815250) is cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone is COc1ccnc(NC2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is RWDWVXXOGCPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-15-7-10-18-17(20-15)19-14-8-11-21(12-9-14)16(22)13-5-3-2-4-6-13/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,20).
What are the key properties of cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone?
cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56815250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).