N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide

C29H38ClN5O3 — CID 148969048

IUPACN-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
SMILESCC1CCN(CCCC(=O)c2nc[nH]c2C(=O)NC2CCC3(CC2)CCN(c2ccccc2Cl)C3=O)CC1
InChIInChI=1S/C29H38ClN5O3/c1-20-10-16-34(17-11-20)15-4-7-24(36)25-26(32-19-31-25)27(37)33-21-8-12-29(13-9-21)14-18-35(28(29)38)23-6-3-2-5-22(23)30/h2-3,5-6,19-21H,4,7-18H2,1H3,(H,31,32)(H,33,37)
InChIKeyPTMSLDUUHMUREA-UHFFFAOYSA-N
MW540.11 g/mol
LogP4.85
Rot. Bonds8

About N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide

N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide (PubChem CID 148969048) has the molecular formula C29H38ClN5O3 and a molecular weight of 540.11 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
PubChem CID148969048
Molecular FormulaC29H38ClN5O3
Molecular Weight540.11 g/mol
Exact Mass539.27
IUPAC NameN-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
SMILESCC1CCN(CCCC(=O)c2nc[nH]c2C(=O)NC2CCC3(CC2)CCN(c2ccccc2Cl)C3=O)CC1
InChIInChI=1S/C29H38ClN5O3/c1-20-10-16-34(17-11-20)15-4-7-24(36)25-26(32-19-31-25)27(37)33-21-8-12-29(13-9-21)14-18-35(28(29)38)23-6-3-2-5-22(23)30/h2-3,5-6,19-21H,4,7-18H2,1H3,(H,31,32)(H,33,37)
InChIKeyPTMSLDUUHMUREA-UHFFFAOYSA-N
XLogP4.85
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.11
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
5-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679396
4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 134538538
4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679290
5-N-[2-(2-chloro-4-fluoro-5-methylphenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122679391
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 122672795
4-N-[(5R)-1-(2-chloro-4-fluorophenyl)-2-oxoazonan-5-yl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134556634
5-(4-benzylpiperazine-1-carbonyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
CID 46264397
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118419131
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide (CID 148969048) is N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide is CC1CCN(CCCC(=O)c2nc[nH]c2C(=O)NC2CCC3(CC2)CCN(c2ccccc2Cl)C3=O)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide?
The InChIKey is PTMSLDUUHMUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN5O3/c1-20-10-16-34(17-11-20)15-4-7-24(36)25-26(32-19-31-25)27(37)33-21-8-12-29(13-9-21)14-18-35(28(29)38)23-6-3-2-5-22(23)30/h2-3,5-6,19-21H,4,7-18H2,1H3,(H,31,32)(H,33,37).
What are the key properties of N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide?
N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide has a molecular weight of 540.11 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 148969048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).