ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

C24H38N4O3 — CID 158646757

IUPACethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)NC(C)C)c2ccccc23)CC1.[H][H]
InChIInChI=1S/C24H36N4O3.H2/c1-4-31-23(30)27-13-9-19(10-14-27)26-15-11-24(12-16-26)17-28(22(29)25-18(2)3)21-8-6-5-7-20(21)24;/h5-8,18-19H,4,9-17H2,1-3H3,(H,25,29);1H
InChIKeyIBBGANPRGZOPKK-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.83
Rot. Bonds3

About ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen

ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 158646757) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
PubChem CID158646757
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Nameethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
SMILESCCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)NC(C)C)c2ccccc23)CC1.[H][H]
InChIInChI=1S/C24H36N4O3.H2/c1-4-31-23(30)27-13-9-19(10-14-27)26-15-11-24(12-16-26)17-28(22(29)25-18(2)3)21-8-6-5-7-20(21)24;/h5-8,18-19H,4,9-17H2,1-3H3,(H,25,29);1H
InChIKeyIBBGANPRGZOPKK-UHFFFAOYSA-N
XLogP3.83
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen with MolForge

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Related Compounds

ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
methyl 4-[1-(dimethylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 24798108
but-2-ynyl 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433883
ethyl 4-[5-fluoro-1-[(2S)-2-hydroxybutanoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158827461
ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433197
ethyl N-[3-[5-fluoro-1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 70957679
ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 11661869
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
ethyl 3-(1-carbamoylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;molecular hydrogen
CID 162020826
ethyl 4-[(1S)-1-(methoxycarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158796249
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The IUPAC name of ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen (CID 158646757) is ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is CCOC(=O)N1CCC(N2CCC3(CC2)CN(C(=O)NC(C)C)c2ccccc23)CC1.[H][H].
What is the InChIKey of ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
The InChIKey is IBBGANPRGZOPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3.H2/c1-4-31-23(30)27-13-9-19(10-14-27)26-15-11-24(12-16-26)17-28(22(29)25-18(2)3)21-8-6-5-7-20(21)24;/h5-8,18-19H,4,9-17H2,1-3H3,(H,25,29);1H.
What are the key properties of ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen?
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 430.59 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 158646757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).