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

C22H36N2O — CID 159541063

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C22H34N2O.H2/c1-17(25)23-20-9-10-22(19-8-6-5-7-18(19)20)12-15-24(16-13-22)14-11-21(2,3)4;/h5-8,20H,9-16H2,1-4H3,(H,23,25);1H/t20-;/m0./s1
InChIKeyMEFGVIBNRGGKIB-BDQAORGHSA-N
MW344.54 g/mol
LogP4.67
Rot. Bonds3

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

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 159541063) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID159541063
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C22H34N2O.H2/c1-17(25)23-20-9-10-22(19-8-6-5-7-18(19)20)12-15-24(16-13-22)14-11-21(2,3)4;/h5-8,20H,9-16H2,1-4H3,(H,23,25);1H/t20-;/m0./s1
InChIKeyMEFGVIBNRGGKIB-BDQAORGHSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 159541063) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is MEFGVIBNRGGKIB-BDQAORGHSA-N. The full InChI is InChI=1S/C22H34N2O.H2/c1-17(25)23-20-9-10-22(19-8-6-5-7-18(19)20)12-15-24(16-13-22)14-11-21(2,3)4;/h5-8,20H,9-16H2,1-4H3,(H,23,25);1H/t20-;/m0./s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 344.54 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159541063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).