N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide

C20H33N3O3 — CID 97125471

IUPACN-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H33N3O3/c1-15(24)21-19(2,3)17(25)22-13-11-20(14-22)10-7-12-23(18(20)26)16-8-5-4-6-9-16/h16H,4-14H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyABKWZPZMRFAGSK-FQEVSTJZSA-N
MW363.50 g/mol
LogP2.07
Rot. Bonds3

About N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide

N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide (PubChem CID 97125471) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide
PubChem CID97125471
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H33N3O3/c1-15(24)21-19(2,3)17(25)22-13-11-20(14-22)10-7-12-23(18(20)26)16-8-5-4-6-9-16/h16H,4-14H2,1-3H3,(H,21,24)/t20-/m0/s1
InChIKeyABKWZPZMRFAGSK-FQEVSTJZSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2,4,6-tetramethyl-1-piperidinyl)propyl]-2-oxo-1-pyrrolidineacetamide
CID 44374688
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CID 44374959
N-methyl-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 75411499
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124052791
1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124052802
1-[1-(3,3-Dimethylbutanoyl)piperidin-4-YL]-5-oxo-N-(propan-2-YL)pyrrolidine-2-carboxamide
CID 124078454
1-[2-[2-(2-Methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide
CID 71911710
2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
CID 126437131
(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 164634146
(1S,6R,11S,18R)-8-(4,4-difluorocyclohexyl)-20-(3,3-dimethylbutanoyl)-14-methyl-3,8,14,17,20-pentazatricyclo[16.2.1.06,11]henicosane-2,13,16-trione
CID 154813583
1-cyclohexyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 3320047
1-cyclohexyl-N-[3-(2-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 3320050

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide (CID 97125471) is N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)(C)C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide?
The InChIKey is ABKWZPZMRFAGSK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-15(24)21-19(2,3)17(25)22-13-11-20(14-22)10-7-12-23(18(20)26)16-8-5-4-6-9-16/h16H,4-14H2,1-3H3,(H,21,24)/t20-/m0/s1.
What are the key properties of N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide?
N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide has a molecular weight of 363.50 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 97125471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).