1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide

C20H30N4O3 — CID 91626455

IUPAC1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)CC1
InChIInChI=1S/C20H30N4O3/c1-13-12-14(2)22-20(21-13)27-18-6-4-17(5-7-18)23-19(26)16-8-10-24(11-9-16)15(3)25/h12,16-18H,4-11H2,1-3H3,(H,23,26)
InChIKeyWWHPWRHMJJMTRG-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.16
Rot. Bonds4

About 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide

1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide (PubChem CID 91626455) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide
PubChem CID91626455
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)CC1
InChIInChI=1S/C20H30N4O3/c1-13-12-14(2)22-20(21-13)27-18-6-4-17(5-7-18)23-19(26)16-8-10-24(11-9-16)15(3)25/h12,16-18H,4-11H2,1-3H3,(H,23,26)
InChIKeyWWHPWRHMJJMTRG-UHFFFAOYSA-N
XLogP2.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide (CID 91626455) is 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCC(Oc3nc(C)cc(C)n3)CC2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
The InChIKey is WWHPWRHMJJMTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13-12-14(2)22-20(21-13)27-18-6-4-17(5-7-18)23-19(26)16-8-10-24(11-9-16)15(3)25/h12,16-18H,4-11H2,1-3H3,(H,23,26).
What are the key properties of 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 91626455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).