N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C21H31N3O2 — CID 97400190

IUPACN-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O2/c1-15(2)20(26)22-18-13-21(17-8-6-5-7-16(17)18)9-11-24(12-10-21)14-19(25)23(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,22,26)/t18-/m1/s1
InChIKeyTUWMZYUKBMFXNB-GOSISDBHSA-N
MW357.50 g/mol
LogP2.33
Rot. Bonds4

About N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 97400190) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
PubChem CID97400190
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21
InChIInChI=1S/C21H31N3O2/c1-15(2)20(26)22-18-13-21(17-8-6-5-7-16(17)18)9-11-24(12-10-21)14-19(25)23(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,22,26)/t18-/m1/s1
InChIKeyTUWMZYUKBMFXNB-GOSISDBHSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
CID 134077715
3-[(1S)-1'-(cyclopentylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59433056
N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 71193378
ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
CID 70957572
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
N,N-dimethyl-1-[[(2R)-oxolane-2-carbonyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131653154
2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 161364674
ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 58815543
N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433199
N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24875546
1-(1'-benzoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-propan-2-ylurea
CID 134790690

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 97400190) is N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21.
What is the InChIKey of N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The InChIKey is TUWMZYUKBMFXNB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)20(26)22-18-13-21(17-8-6-5-7-16(17)18)9-11-24(12-10-21)14-19(25)23(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 357.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 97400190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).