N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C21H34N2O — CID 159368131

IUPACN-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CCC2(CCN(CC3CCC3)CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C21H30N2O.2H2/c1-16(24)22-20-9-10-21(19-8-3-2-7-18(19)20)11-13-23(14-12-21)15-17-5-4-6-17;;/h2-3,7-8,17,20H,4-6,9-15H2,1H3,(H,22,24);2*1H/t20-;;/m0../s1
InChIKeyLJJSQOSWFJIMCO-FJSYBICCSA-N
MW330.52 g/mol
LogP4.28
Rot. Bonds3

About N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 159368131) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID159368131
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CCC2(CCN(CC3CCC3)CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C21H30N2O.2H2/c1-16(24)22-20-9-10-21(19-8-3-2-7-18(19)20)11-13-23(14-12-21)15-17-5-4-6-17;;/h2-3,7-8,17,20H,4-6,9-15H2,1H3,(H,22,24);2*1H/t20-;;/m0../s1
InChIKeyLJJSQOSWFJIMCO-FJSYBICCSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433199
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541064
N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24875546
4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen
CID 159330542
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'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 160599665
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
CID 134077715
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 159368131) is N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CCC2(CCN(CC3CCC3)CC2)c2ccccc21.[H][H].[H][H].
What is the InChIKey of N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is LJJSQOSWFJIMCO-FJSYBICCSA-N. The full InChI is InChI=1S/C21H30N2O.2H2/c1-16(24)22-20-9-10-21(19-8-3-2-7-18(19)20)11-13-23(14-12-21)15-17-5-4-6-17;;/h2-3,7-8,17,20H,4-6,9-15H2,1H3,(H,22,24);2*1H/t20-;;/m0../s1.
What are the key properties of N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 330.52 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159368131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).