N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide

C19H24ClN3O3 — CID 155799489

IUPACN-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
SMILESCN1CC2(CC3CCC(C2)N3C(=O)NCc2ccc(Cl)cc2)OCC1=O
InChIInChI=1S/C19H24ClN3O3/c1-22-12-19(26-11-17(22)24)8-15-6-7-16(9-19)23(15)18(25)21-10-13-2-4-14(20)5-3-13/h2-5,15-16H,6-12H2,1H3,(H,21,25)
InChIKeyRNXVFAZJBNRGPR-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.40
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide

N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide (PubChem CID 155799489) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
PubChem CID155799489
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
SMILESCN1CC2(CC3CCC(C2)N3C(=O)NCc2ccc(Cl)cc2)OCC1=O
InChIInChI=1S/C19H24ClN3O3/c1-22-12-19(26-11-17(22)24)8-15-6-7-16(9-19)23(15)18(25)21-10-13-2-4-14(20)5-3-13/h2-5,15-16H,6-12H2,1H3,(H,21,25)
InChIKeyRNXVFAZJBNRGPR-UHFFFAOYSA-N
XLogP2.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide (CID 155799489) is N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide is CN1CC2(CC3CCC(C2)N3C(=O)NCc2ccc(Cl)cc2)OCC1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
The InChIKey is RNXVFAZJBNRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-22-12-19(26-11-17(22)24)8-15-6-7-16(9-19)23(15)18(25)21-10-13-2-4-14(20)5-3-13/h2-5,15-16H,6-12H2,1H3,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide is sourced from PubChem (CID 155799489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).