N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide

C18H29N5O2 — CID 47528353

IUPACN-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-21(15-6-4-3-5-7-15)17(24)14-22-10-12-23(13-11-22)18-19-9-8-16(20-18)25-2/h8-9,15H,3-7,10-14H2,1-2H3
InChIKeyWYBGGOGZAFUYQS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.40
Rot. Bonds5

About N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 47528353) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID47528353
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-21(15-6-4-3-5-7-15)17(24)14-22-10-12-23(13-11-22)18-19-9-8-16(20-18)25-2/h8-9,15H,3-7,10-14H2,1-2H3
InChIKeyWYBGGOGZAFUYQS-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide (CID 47528353) is N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide is COc1ccnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is WYBGGOGZAFUYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21(15-6-4-3-5-7-15)17(24)14-22-10-12-23(13-11-22)18-19-9-8-16(20-18)25-2/h8-9,15H,3-7,10-14H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47528353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).