ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C24H35N3O3 — CID 59433488

IUPACethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC[C@H](NC(C)=O)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H35N3O3/c1-3-30-23(29)27-14-9-19(10-15-27)26-16-12-24(13-17-26)11-8-22(25-18(2)28)20-6-4-5-7-21(20)24/h4-7,19,22H,3,8-17H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeySKOHSCRMSGGKJU-QFIPXVFZSA-N
MW413.56 g/mol
LogP3.61
Rot. Bonds3

About ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433488) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433488
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Nameethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC[C@H](NC(C)=O)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H35N3O3/c1-3-30-23(29)27-14-9-19(10-15-27)26-16-12-24(13-17-26)11-8-22(25-18(2)28)20-6-4-5-7-21(20)24/h4-7,19,22H,3,8-17H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeySKOHSCRMSGGKJU-QFIPXVFZSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 89136835
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
ethyl 4-[(1S)-1-(methoxycarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158796249
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'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 160599665
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 160602554
N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433199
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131
ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433197

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433488) is ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC[C@H](NC(C)=O)c4ccccc43)CC2)CC1.
What is the InChIKey of ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is SKOHSCRMSGGKJU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-3-30-23(29)27-14-9-19(10-15-27)26-16-12-24(13-17-26)11-8-22(25-18(2)28)20-6-4-5-7-21(20)24/h4-7,19,22H,3,8-17H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 413.56 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).