1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea

C18H25N3O2 — CID 131639099

IUPAC1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
SMILESCNC(=O)NC1CC2(CCN(C(C)=O)CC2)c2cc(C)ccc21
InChIInChI=1S/C18H25N3O2/c1-12-4-5-14-15(10-12)18(11-16(14)20-17(23)19-3)6-8-21(9-7-18)13(2)22/h4-5,10,16H,6-9,11H2,1-3H3,(H2,19,20,23)
InChIKeyVQUXTTAWNWROGQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.25
Rot. Bonds1

About 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea

1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea (PubChem CID 131639099) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
PubChem CID131639099
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
SMILESCNC(=O)NC1CC2(CCN(C(C)=O)CC2)c2cc(C)ccc21
InChIInChI=1S/C18H25N3O2/c1-12-4-5-14-15(10-12)18(11-16(14)20-17(23)19-3)6-8-21(9-7-18)13(2)22/h4-5,10,16H,6-9,11H2,1-3H3,(H2,19,20,23)
InChIKeyVQUXTTAWNWROGQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea 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-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
The IUPAC name of 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea (CID 131639099) is 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea.
What is the SMILES notation for 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
The canonical SMILES for 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea is CNC(=O)NC1CC2(CCN(C(C)=O)CC2)c2cc(C)ccc21.
What is the InChIKey of 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
The InChIKey is VQUXTTAWNWROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-4-5-14-15(10-12)18(11-16(14)20-17(23)19-3)6-8-21(9-7-18)13(2)22/h4-5,10,16H,6-9,11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea?
1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea has a molecular weight of 315.42 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-acetyl-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea is sourced from PubChem (CID 131639099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).