ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C22H30BrN3O3 — CID 59433197

IUPACethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2c(Br)cccc23)CC1
InChIInChI=1S/C22H30BrN3O3/c1-3-29-21(28)25-11-7-17(8-12-25)24-13-9-22(10-14-24)15-26(16(2)27)20-18(22)5-4-6-19(20)23/h4-6,17H,3,7-15H2,1-2H3
InChIKeyBWCACIUMFCKSQY-UHFFFAOYSA-N
MW464.40 g/mol
LogP3.77
Rot. Bonds2

About ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate

ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 59433197) has the molecular formula C22H30BrN3O3 and a molecular weight of 464.40 g/mol. Its IUPAC name is ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID59433197
Molecular FormulaC22H30BrN3O3
Molecular Weight464.40 g/mol
Exact Mass463.15
IUPAC Nameethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2c(Br)cccc23)CC1
InChIInChI=1S/C22H30BrN3O3/c1-3-29-21(28)25-11-7-17(8-12-25)24-13-9-22(10-14-24)15-26(16(2)27)20-18(22)5-4-6-19(20)23/h4-6,17H,3,7-15H2,1-2H3
InChIKeyBWCACIUMFCKSQY-UHFFFAOYSA-N
XLogP3.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-acetyl-7-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-10-azabicyclo[5.2.1]decane-10-carboxylate
CID 58815757
ethyl 4-[(1-acetyl-7-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433653
ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 11661869
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
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
but-2-ynyl 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433883
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
ethyl 4-[1-acetyl-5-(cyclopenten-1-yl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433776
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
butyl 1'-(1-ethoxycarbonylpiperidin-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 11993100
ethyl 4-(2-pentanoylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 58089527

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 59433197) is ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(C)=O)c2c(Br)cccc23)CC1.
What is the InChIKey of ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is BWCACIUMFCKSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30BrN3O3/c1-3-29-21(28)25-11-7-17(8-12-25)24-13-9-22(10-14-24)15-26(16(2)27)20-18(22)5-4-6-19(20)23/h4-6,17H,3,7-15H2,1-2H3.
What are the key properties of ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 464.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59433197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).