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

C25H38N2O — CID 59433181

IUPACN-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CCCC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C25H38N2O/c1-20(28)26-24-13-14-25(23-12-6-5-11-22(23)24)15-18-27(19-16-25)17-7-10-21-8-3-2-4-9-21/h5-6,11-12,21,24H,2-4,7-10,13-19H2,1H3,(H,26,28)/t24-/m0/s1
InChIKeyXGJNGIPTELTMAJ-DEOSSOPVSA-N
MW382.59 g/mol
LogP5.35
Rot. Bonds5

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

N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 59433181) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID59433181
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC NameN-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CCCC3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C25H38N2O/c1-20(28)26-24-13-14-25(23-12-6-5-11-22(23)24)15-18-27(19-16-25)17-7-10-21-8-3-2-4-9-21/h5-6,11-12,21,24H,2-4,7-10,13-19H2,1H3,(H,26,28)/t24-/m0/s1
InChIKeyXGJNGIPTELTMAJ-DEOSSOPVSA-N
XLogP5.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.35
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-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 59433181) is N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CCC2(CCN(CCCC3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is XGJNGIPTELTMAJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H38N2O/c1-20(28)26-24-13-14-25(23-12-6-5-11-22(23)24)15-18-27(19-16-25)17-7-10-21-8-3-2-4-9-21/h5-6,11-12,21,24H,2-4,7-10,13-19H2,1H3,(H,26,28)/t24-/m0/s1.
What are the key properties of N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 382.59 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 59433181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).