N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C24H30ClN5O3 — CID 146072434

IUPACN-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1noc(C2CC3(CCN(C(=O)C4CC4)CC3)CN2CC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C24H30ClN5O3/c1-16-27-22(33-28-16)20-12-24(8-10-29(11-9-24)23(32)17-6-7-17)15-30(20)14-21(31)26-13-18-4-2-3-5-19(18)25/h2-5,17,20H,6-15H2,1H3,(H,26,31)
InChIKeyYDPWHVMLDIYAKB-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.11
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146072434) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146072434
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1noc(C2CC3(CCN(C(=O)C4CC4)CC3)CN2CC(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C24H30ClN5O3/c1-16-27-22(33-28-16)20-12-24(8-10-29(11-9-24)23(32)17-6-7-17)15-30(20)14-21(31)26-13-18-4-2-3-5-19(18)25/h2-5,17,20H,6-15H2,1H3,(H,26,31)
InChIKeyYDPWHVMLDIYAKB-UHFFFAOYSA-N
XLogP3.11
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide with MolForge

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Related Compounds

2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(2,2-dimethylpropyl)acetamide
CID 146072428
N-(cyclohexylmethyl)-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072494
N-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072448
N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072451
2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91911322
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351669
N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 146072372
3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 164631537
N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72856039
3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 91911324
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146072434) is N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is Cc1noc(C2CC3(CCN(C(=O)C4CC4)CC3)CN2CC(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is YDPWHVMLDIYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-16-27-22(33-28-16)20-12-24(8-10-29(11-9-24)23(32)17-6-7-17)15-30(20)14-21(31)26-13-18-4-2-3-5-19(18)25/h2-5,17,20H,6-15H2,1H3,(H,26,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 471.99 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 146072434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).