N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide

C21H34N4O2 — CID 70847854

IUPACN-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(C3CCCCC3)CC2)nc(C)c1C
InChIInChI=1S/C21H34N4O2/c1-15-16(2)22-21(23-17(15)3)27-14-20(26)24(4)18-10-12-25(13-11-18)19-8-6-5-7-9-19/h18-19H,5-14H2,1-4H3
InChIKeyTXKUBYSKYUONIL-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.04
Rot. Bonds5

About N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide

N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide (PubChem CID 70847854) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide
PubChem CID70847854
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(C3CCCCC3)CC2)nc(C)c1C
InChIInChI=1S/C21H34N4O2/c1-15-16(2)22-21(23-17(15)3)27-14-20(26)24(4)18-10-12-25(13-11-18)19-8-6-5-7-9-19/h18-19H,5-14H2,1-4H3
InChIKeyTXKUBYSKYUONIL-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide (CID 70847854) is N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide is Cc1nc(OCC(=O)N(C)C2CCN(C3CCCCC3)CC2)nc(C)c1C.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide?
The InChIKey is TXKUBYSKYUONIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-16(2)22-21(23-17(15)3)27-14-20(26)24(4)18-10-12-25(13-11-18)19-8-6-5-7-9-19/h18-19H,5-14H2,1-4H3.
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide?
N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide has a molecular weight of 374.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)oxyacetamide is sourced from PubChem (CID 70847854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).