(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one

C18H26N2O — CID 129466127

IUPAC(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
SMILESC[C@H](N)CC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1
InChIInChI=1S/C18H26N2O/c1-14(19)12-17(21)20-11-5-10-18(13-20)9-4-7-15-6-2-3-8-16(15)18/h2-3,6,8,14H,4-5,7,9-13,19H2,1H3/t14-,18-/m0/s1
InChIKeyQIAISWIVAQWDLD-KSSFIOAISA-N
MW286.42 g/mol
LogP2.62
Rot. Bonds2

About (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one

(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one (PubChem CID 129466127) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
PubChem CID129466127
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
SMILESC[C@H](N)CC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1
InChIInChI=1S/C18H26N2O/c1-14(19)12-17(21)20-11-5-10-18(13-20)9-4-7-15-6-2-3-8-16(15)18/h2-3,6,8,14H,4-5,7,9-13,19H2,1H3/t14-,18-/m0/s1
InChIKeyQIAISWIVAQWDLD-KSSFIOAISA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
2-methyl-4-(2-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylethyl)phthalazin-1-one
CID 166231935
N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 138017410
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
CID 124886336
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
CID 136564429
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 58054597
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone
CID 166373453
1'-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 143568861
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one?
The IUPAC name of (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one (CID 129466127) is (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one.
What is the SMILES notation for (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one?
The canonical SMILES for (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one is C[C@H](N)CC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1.
What is the InChIKey of (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one?
The InChIKey is QIAISWIVAQWDLD-KSSFIOAISA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(19)12-17(21)20-11-5-10-18(13-20)9-4-7-15-6-2-3-8-16(15)18/h2-3,6,8,14H,4-5,7,9-13,19H2,1H3/t14-,18-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one?
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one is sourced from PubChem (CID 129466127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).