(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C17H22ClN3O3 — CID 95215237

IUPAC(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1Cl
InChIInChI=1S/C17H22ClN3O3/c1-20-8-3-6-17(15(20)22)7-9-21(11-17)16(23)19-12-4-5-14(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,23)/t17-/m0/s1
InChIKeyBPIUEIICUBPLGV-KRWDZBQOSA-N
MW351.83 g/mol
LogP2.82
Rot. Bonds2

About (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 95215237) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID95215237
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1Cl
InChIInChI=1S/C17H22ClN3O3/c1-20-8-3-6-17(15(20)22)7-9-21(11-17)16(23)19-12-4-5-14(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,23)/t17-/m0/s1
InChIKeyBPIUEIICUBPLGV-KRWDZBQOSA-N
XLogP2.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 95215237) is (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1Cl.
What is the InChIKey of (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is BPIUEIICUBPLGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-20-8-3-6-17(15(20)22)7-9-21(11-17)16(23)19-12-4-5-14(24-2)13(18)10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 95215237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).