1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea

C20H29N3O2 — CID 118739339

IUPAC1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
SMILESCCC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)c1cc(C)ccc12
InChIInChI=1S/C20H29N3O2/c1-5-18(24)23-10-8-20(9-11-23)13-17(21-19(25)22(3)4)15-12-14(2)6-7-16(15)20/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,21,25)
InChIKeyHLUAOEFVEQDYRE-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds2

About 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea

1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea (PubChem CID 118739339) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
PubChem CID118739339
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
SMILESCCC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)c1cc(C)ccc12
InChIInChI=1S/C20H29N3O2/c1-5-18(24)23-10-8-20(9-11-23)13-17(21-19(25)22(3)4)15-12-14(2)6-7-16(15)20/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,21,25)
InChIKeyHLUAOEFVEQDYRE-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea (CID 118739339) is 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea is CCC(=O)N1CCC2(CC1)CC(NC(=O)N(C)C)c1cc(C)ccc12.
What is the InChIKey of 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
The InChIKey is HLUAOEFVEQDYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-18(24)23-10-8-20(9-11-23)13-17(21-19(25)22(3)4)15-12-14(2)6-7-16(15)20/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,21,25).
What are the key properties of 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea?
1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea has a molecular weight of 343.47 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea is sourced from PubChem (CID 118739339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).