ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate

C25H36FN5O4 — CID 166569463

IUPACethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3ccc(F)cc3)CC1)NC2=O
InChIInChI=1S/C25H36FN5O4/c1-2-35-24(34)27-18-22(32)31-11-8-25(9-12-31)17-20(28-23(25)33)7-10-29-13-15-30(16-14-29)21-5-3-19(26)4-6-21/h3-6,20H,2,7-18H2,1H3,(H,27,34)(H,28,33)/t20-/m0/s1
InChIKeyTXPLAVQLIPKZGT-FQEVSTJZSA-N
MW489.59 g/mol
LogP1.58
Rot. Bonds7

About ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate

ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate (PubChem CID 166569463) has the molecular formula C25H36FN5O4 and a molecular weight of 489.59 g/mol. Its IUPAC name is ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate
PubChem CID166569463
Molecular FormulaC25H36FN5O4
Molecular Weight489.59 g/mol
Exact Mass489.28
IUPAC Nameethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3ccc(F)cc3)CC1)NC2=O
InChIInChI=1S/C25H36FN5O4/c1-2-35-24(34)27-18-22(32)31-11-8-25(9-12-31)17-20(28-23(25)33)7-10-29-13-15-30(16-14-29)21-5-3-19(26)4-6-21/h3-6,20H,2,7-18H2,1H3,(H,27,34)(H,28,33)/t20-/m0/s1
InChIKeyTXPLAVQLIPKZGT-FQEVSTJZSA-N
XLogP1.58
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166569374
tert-butyl (3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146252540
(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-8-[(2S)-pyrrolidine-2-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167290591
N-[4-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]oxan-4-yl]-N-methylacetamide
CID 166569401
methyl N-[2-[(3R)-3-[2-[(2S)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate
CID 167327755
N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide
CID 166569391
tert-butyl (3S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-hydroxy-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146252633
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-[4-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]oxan-4-yl]-N-methylacetamide
CID 166569443
4-[4-[2-[(2S)-4,4-diethyl-5-oxopyrrolidin-2-yl]ethyl]piperazin-1-yl]benzonitrile
CID 146242772
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate (CID 166569463) is ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3ccc(F)cc3)CC1)NC2=O.
What is the InChIKey of ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate?
The InChIKey is TXPLAVQLIPKZGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H36FN5O4/c1-2-35-24(34)27-18-22(32)31-11-8-25(9-12-31)17-20(28-23(25)33)7-10-29-13-15-30(16-14-29)21-5-3-19(26)4-6-21/h3-6,20H,2,7-18H2,1H3,(H,27,34)(H,28,33)/t20-/m0/s1.
What are the key properties of ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate?
ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate has a molecular weight of 489.59 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 166569463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).