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

C24H29N3O2 — CID 134790690

IUPAC1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-17(2)25-23(29)26-21-16-24(20-11-7-6-10-19(20)21)12-14-27(15-13-24)22(28)18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3,(H2,25,26,29)
InChIKeyNGNDWSGCVLMITI-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.01
Rot. Bonds3

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

1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea (PubChem CID 134790690) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea
PubChem CID134790690
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-17(2)25-23(29)26-21-16-24(20-11-7-6-10-19(20)21)12-14-27(15-13-24)22(28)18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3,(H2,25,26,29)
InChIKeyNGNDWSGCVLMITI-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[[(2R)-oxolane-2-carbonyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131653154
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97400614
N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide
CID 158697736
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
3-[(1S)-1'-(cyclopentylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59433056
(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
CID 161257247
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
CID 70957572

Frequently Asked Questions

What is the IUPAC name of 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea (CID 134790690) is 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea?
The InChIKey is NGNDWSGCVLMITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(2)25-23(29)26-21-16-24(20-11-7-6-10-19(20)21)12-14-27(15-13-24)22(28)18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea?
1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea has a molecular weight of 391.52 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea is sourced from PubChem (CID 134790690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).