N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide

C21H31N3O — CID 134077715

IUPACN-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CC2(CCN(CC3CC3)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O/c1-23(2)15-20(25)22-19-13-21(18-6-4-3-5-17(18)19)9-11-24(12-10-21)14-16-7-8-16/h3-6,16,19H,7-15H2,1-2H3,(H,22,25)
InChIKeyVAVYBEDRWUIXBL-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.55
Rot. Bonds5

About N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide

N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide (PubChem CID 134077715) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
PubChem CID134077715
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC1CC2(CCN(CC3CC3)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O/c1-23(2)15-20(25)22-19-13-21(18-6-4-3-5-17(18)19)9-11-24(12-10-21)14-16-7-8-16/h3-6,16,19H,7-15H2,1-2H3,(H,22,25)
InChIKeyVAVYBEDRWUIXBL-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1'-(cyclopentylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59433056
N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433199
N-cyclopropyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657389
N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 97400190
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
3-[1'-(cyclopropylmethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 118743344
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131
N-(cyclopropylmethyl)-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131645925
3-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 59614184
1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 89136835
N-cyclobutyl-2-[(1R)-1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375917

Frequently Asked Questions

What is the IUPAC name of N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide (CID 134077715) is N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC1CC2(CCN(CC3CC3)CC2)c2ccccc21.
What is the InChIKey of N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide?
The InChIKey is VAVYBEDRWUIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-23(2)15-20(25)22-19-13-21(18-6-4-3-5-17(18)19)9-11-24(12-10-21)14-16-7-8-16/h3-6,16,19H,7-15H2,1-2H3,(H,22,25).
What are the key properties of N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide?
N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide has a molecular weight of 341.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 134077715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).