N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide

C16H22N4O2 — CID 118740714

IUPACN-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CC2(CO1)CN(c1ncccn1)C2)C1CCC1
InChIInChI=1S/C16H22N4O2/c21-14(12-3-1-4-12)19-8-13-7-16(11-22-13)9-20(10-16)15-17-5-2-6-18-15/h2,5-6,12-13H,1,3-4,7-11H2,(H,19,21)
InChIKeyIWCASJKRFBWWAT-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.99
Rot. Bonds4

About N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide

N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide (PubChem CID 118740714) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide
PubChem CID118740714
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CC2(CO1)CN(c1ncccn1)C2)C1CCC1
InChIInChI=1S/C16H22N4O2/c21-14(12-3-1-4-12)19-8-13-7-16(11-22-13)9-20(10-16)15-17-5-2-6-18-15/h2,5-6,12-13H,1,3-4,7-11H2,(H,19,21)
InChIKeyIWCASJKRFBWWAT-UHFFFAOYSA-N
XLogP0.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide 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 N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide (CID 118740714) is N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide is O=C(NCC1CC2(CO1)CN(c1ncccn1)C2)C1CCC1.
What is the InChIKey of N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide?
The InChIKey is IWCASJKRFBWWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-14(12-3-1-4-12)19-8-13-7-16(11-22-13)9-20(10-16)15-17-5-2-6-18-15/h2,5-6,12-13H,1,3-4,7-11H2,(H,19,21).
What are the key properties of N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide?
N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-2-yl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 118740714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).