ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C25H37N3O3 — CID 11661869

IUPACethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCc1ccc2c(c1)C1(CCN(C3CCN(C(=O)OCC)CC3)CC1)CN2C(C)=O
InChIInChI=1S/C25H37N3O3/c1-4-6-20-7-8-23-22(17-20)25(18-28(23)19(3)29)11-15-26(16-12-25)21-9-13-27(14-10-21)24(30)31-5-2/h7-8,17,21H,4-6,9-16,18H2,1-3H3
InChIKeyVETFPASUQHETKB-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.96
Rot. Bonds4

About ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 11661869) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID11661869
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Nameethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCCc1ccc2c(c1)C1(CCN(C3CCN(C(=O)OCC)CC3)CC1)CN2C(C)=O
InChIInChI=1S/C25H37N3O3/c1-4-6-20-7-8-23-22(17-20)25(18-28(23)19(3)29)11-15-26(16-12-25)21-9-13-27(14-10-21)24(30)31-5-2/h7-8,17,21H,4-6,9-16,18H2,1-3H3
InChIKeyVETFPASUQHETKB-UHFFFAOYSA-N
XLogP3.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433053
ethyl 4-[1-acetyl-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433542
ethyl 4-[1-acetyl-5-(cyclopenten-1-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433776
cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433761
ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433197
ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158827461
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877
ethyl 4-[5-fluoro-1-(4-methoxybenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11518875
but-2-ynyl 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433883
ethyl 4-[1-(2,5-dimethylfuran-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433428
oxolan-3-yl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59613139
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 11661869) is ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCCc1ccc2c(c1)C1(CCN(C3CCN(C(=O)OCC)CC3)CC1)CN2C(C)=O.
What is the InChIKey of ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is VETFPASUQHETKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-4-6-20-7-8-23-22(17-20)25(18-28(23)19(3)29)11-15-26(16-12-25)21-9-13-27(14-10-21)24(30)31-5-2/h7-8,17,21H,4-6,9-16,18H2,1-3H3.
What are the key properties of ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 427.59 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).