1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide

C18H25FN4O3 — CID 91626362

IUPAC1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)CC1
InChIInChI=1S/C18H25FN4O3/c1-12(24)23-8-6-13(7-9-23)17(25)22-15-2-4-16(5-3-15)26-18-20-10-14(19)11-21-18/h10-11,13,15-16H,2-9H2,1H3,(H,22,25)
InChIKeyPVCXBSCMCFEIHH-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.68
Rot. Bonds4

About 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide

1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide (PubChem CID 91626362) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide
PubChem CID91626362
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)CC1
InChIInChI=1S/C18H25FN4O3/c1-12(24)23-8-6-13(7-9-23)17(25)22-15-2-4-16(5-3-15)26-18-20-10-14(19)11-21-18/h10-11,13,15-16H,2-9H2,1H3,(H,22,25)
InChIKeyPVCXBSCMCFEIHH-UHFFFAOYSA-N
XLogP1.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[4-(5-fluoropyrimidin-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-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide (CID 91626362) is 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
The InChIKey is PVCXBSCMCFEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-12(24)23-8-6-13(7-9-23)17(25)22-15-2-4-16(5-3-15)26-18-20-10-14(19)11-21-18/h10-11,13,15-16H,2-9H2,1H3,(H,22,25).
What are the key properties of 1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 1.68, 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-(5-fluoropyrimidin-2-yl)oxycyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 91626362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).