1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea

C24H36N4O2 — CID 134787385

IUPAC1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H36N4O2/c1-17(2)25-23(30)26-21-16-24(20-7-5-4-6-19(20)21)10-14-28(15-11-24)22(29)18-8-12-27(3)13-9-18/h4-7,17-18,21H,8-16H2,1-3H3,(H2,25,26,30)
InChIKeyQNBBPJAMKIGLMT-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.04
Rot. Bonds3

About 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea

1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea (PubChem CID 134787385) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea
PubChem CID134787385
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H36N4O2/c1-17(2)25-23(30)26-21-16-24(20-7-5-4-6-19(20)21)10-14-28(15-11-24)22(29)18-8-12-27(3)13-9-18/h4-7,17-18,21H,8-16H2,1-3H3,(H2,25,26,30)
InChIKeyQNBBPJAMKIGLMT-UHFFFAOYSA-N
XLogP3.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea with MolForge

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Related Compounds

N-9H-fluoren-9-yl-1-piperidinecarboxamide
CID 1121624
4-(Diethylamino)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid--hydrogen chloride (1/1)
CID 115647
1-Indanamine, N-(2-dimethylaminobutyryl)-2-phenyl-
CID 115654
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819402
1-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819403
1-Methyl-3-(6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
CID 118739047
1,1-Dimethyl-3-(6-methyl-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
CID 118739339
3-(1'-Acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
CID 118739340
3-(1',6-Dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
CID 118743340
1,1-Dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea
CID 118743342
3-[1'-(Cyclopropylmethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 118743344
1-(1'-Ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea
CID 118744088

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea (CID 134787385) is 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CC2(CCN(C(=O)C3CCN(C)CC3)CC2)c2ccccc21.
What is the InChIKey of 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea?
The InChIKey is QNBBPJAMKIGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-17(2)25-23(30)26-21-16-24(20-7-5-4-6-19(20)21)10-14-28(15-11-24)22(29)18-8-12-27(3)13-9-18/h4-7,17-18,21H,8-16H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea?
1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea has a molecular weight of 412.58 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(1-methylpiperidine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-propan-2-ylurea is sourced from PubChem (CID 134787385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).