N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide

C24H34ClFN4O4 — CID 75082212

IUPACN-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOCC(CCN1CCC2(CC2)C(O)C1)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C(C)C1=O
InChIInChI=1S/C24H34ClFN4O4/c1-16-22(32)30(12-11-29(16)23(33)27-17-3-4-20(26)19(25)13-17)18(15-34-2)5-9-28-10-8-24(6-7-24)21(31)14-28/h3-4,13,16,18,21,31H,5-12,14-15H2,1-2H3,(H,27,33)
InChIKeyGNNGKKGPPCKMGI-UHFFFAOYSA-N
MW497.01 g/mol
LogP2.80
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 75082212) has the molecular formula C24H34ClFN4O4 and a molecular weight of 497.01 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID75082212
Molecular FormulaC24H34ClFN4O4
Molecular Weight497.01 g/mol
Exact Mass496.23
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCOCC(CCN1CCC2(CC2)C(O)C1)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C(C)C1=O
InChIInChI=1S/C24H34ClFN4O4/c1-16-22(32)30(12-11-29(16)23(33)27-17-3-4-20(26)19(25)13-17)18(15-34-2)5-9-28-10-8-24(6-7-24)21(31)14-28/h3-4,13,16,18,21,31H,5-12,14-15H2,1-2H3,(H,27,33)
InChIKeyGNNGKKGPPCKMGI-UHFFFAOYSA-N
XLogP2.80
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

[(2S)-2-[(3S)-4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl] methyl carbonate
CID 59149868
[2-[4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butyl] benzoate
CID 75082210
[(2S)-2-[(3S)-4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl] benzoate
CID 44612365
N-(3,4-dichlorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 72529282
(2S)-N-(3,4-dichlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612134
[(2S)-4-(6-azaspiro[2.5]octan-6-yl)-2-[(3S)-4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]butyl] methyl carbonate
CID 143925489
N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 67080831
(2S)-N-(3-chlorophenyl)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612250
(2S)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 59149931
(2S)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 59149844
N-(3,4-dichlorophenyl)-4-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-7-methyl-6-oxo-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 75628384
benzyl 4-[(2S)-1-acetyloxy-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 68536652

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide (CID 75082212) is N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide is COCC(CCN1CCC2(CC2)C(O)C1)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C(C)C1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is GNNGKKGPPCKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClFN4O4/c1-16-22(32)30(12-11-29(16)23(33)27-17-3-4-20(26)19(25)13-17)18(15-34-2)5-9-28-10-8-24(6-7-24)21(31)14-28/h3-4,13,16,18,21,31H,5-12,14-15H2,1-2H3,(H,27,33).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 497.01 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 75082212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).