N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C16H21ClN4O3 — CID 56741860

IUPACN-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C16H21ClN4O3/c1-24-13-3-2-11(17)10-12(13)20-15(23)21-8-4-16(5-9-21)14(22)18-6-7-19-16/h2-3,10,19H,4-9H2,1H3,(H,18,22)(H,20,23)
InChIKeyIRKAWJHNISWFRL-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.43
Rot. Bonds2

About N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 56741860) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID56741860
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C16H21ClN4O3/c1-24-13-3-2-11(17)10-12(13)20-15(23)21-8-4-16(5-9-21)14(22)18-6-7-19-16/h2-3,10,19H,4-9H2,1H3,(H,18,22)(H,20,23)
InChIKeyIRKAWJHNISWFRL-UHFFFAOYSA-N
XLogP1.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 56741860) is N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)NCCNC2=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is IRKAWJHNISWFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-24-13-3-2-11(17)10-12(13)20-15(23)21-8-4-16(5-9-21)14(22)18-6-7-19-16/h2-3,10,19H,4-9H2,1H3,(H,18,22)(H,20,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 56741860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).